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Hangzhou Pharma & Chem Co., Ltd.

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• S-(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid (CAS: 4163-81-8)
• Sarpogrelate hydrochloride
IUPAC Name: 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid hydrochloride | CAS Registry Number: 135159-51-2
Synonyms: Anplag, sarpogrelate hydrochloride, Anplag (TN), MCI-9042, Sarpogrelate hydrochloride (JAN), Sarpogrelate hydrochloride [JAN], LS-45743, LS-45767, D01624, Butanedioic acid, esters, mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl) ester, hydrochloride, (+-)-, Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl) ester, hydrochloride, (+-)-

Molecular Formula: C24H32ClNO6Molecular Weight: 465.966980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: POQBIDFFYCYHOB-UHFFFAOYSA-N

• Scopine
Synonyms: 6,7-Epoxytropine, CID1274465, 3-Oxa-9-azatricyclo(3.3.1.0(2,4))nonan-7-ol, 9-methyl-, (1alpha,2beta,4beta,5alpha,7beta)-

Molecular Formula: C8H13NO2Molecular Weight: 155.194320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FIMXSEMBHGTNKT-UPGAHCIJSA-N

• Scopine hydrochloride
Synonyms: AKOS015950965, AB1007060, (1|A,2|A,4|A,5|A,7|A)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol hydrochloride

Molecular Formula: C8H14ClNO2Molecular Weight: 191.655260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BBBRAOXIMQHVCR-QDOPBQMJSA-N

• Silodosin
IUPAC Name: 1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide | CAS Registry Number: 160970-54-7
Synonyms: Rapaflo, Urief, Rapflo, Urief (TN), Silodosin (JAN/INN), UNII-CUZ39LUY82, KMD 3213, KMD3213, CHEBI:133307, KAD-3213, KMD-3213, CID5312125, D01965, 1-(3-Hydroxy-propyl)-5-((R)-2-{2-[2-(2,2,2-trifluoro-ethoxy)-phenoxy]-ethylamino}-propyl)-2,3-dihydro-1H-indole-7-carboxylic acid amide

Molecular Formula: C25H32F3N3O4Molecular Weight: 495.534490 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: PNCPYILNMDWPEY-QGZVFWFLSA-N

• Sitagliptin
IUPAC Name: (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one | CAS Registry Number: 486460-32-6
Synonyms: Sitagliptan, Sitagliptin phosphate, Januvia (merck & Co.), BSPBio_002262, CHEBI:40237, 1x70, MK-0431, CID4369359, DB01261, LS-187389, (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE, (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

Molecular Formula: C16H15F6N5OMolecular Weight: 407.313619 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: MFFMDFFZMYYVKS-SECBINFHSA-N

• Sitagliptin
IUPAC Name: (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; phosphoric acid | CAS Registry Number: 790712-60-6
Synonyms: Sitagliptan, Januvia, Sitagliptin phosphate, MK 0431, MK-0431, MK0431, LS-186669, (2R)-4-Oxo-4-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine phosphate salt, 4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine phosphate, 654671-78-0

Molecular Formula: C16H18F6N5O5PMolecular Weight: 505.308800 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 15

InChIKey: IQFYVLUXQXSJJN-SBSPUUFOSA-N

• Skatole
IUPAC Name: 3-methyl-1H-indole | CAS Registry Number: 83-34-1
Synonyms: Scatole, Skatol, 3-METHYLINDOLE, 3-Methyl-1H-indole, beta-Methylindole, Indole, 3-methyl-, 1H-Indole, 3-methyl-, 3 Methylindole, 3-methylindoline, methyl-3-indole, .beta.-Methylindole, 3-Methyl-4,5-benzopyrrole, 3-MI, FEMA No. 3019, CCRIS 8961, M51458_ALDRICH, HSDB 3511, MLS001332537, MLS001332538, W301906_ALDRICH

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZFRKQXVRDFCRJG-UHFFFAOYSA-N

• Sodium 4-chloro-1-hydroxybutanesulfonate
IUPAC Name: sodium;4-chloro-1-hydroxybutane-1-sulfonate | CAS Registry Number: 54322-20-2
Synonyms: sodium 4-chloro-1-hydroxybutanesulfonate, sodium 4-chloro-1-hydroxybutane-1-sulfonate, 4-chloro-1-hydroxy-1-butane sulfonate sodium, CTK5A0490, MolPort-005-943-571, ACT04418, ANW-73180, AKOS015898794, AC-3477, AG-F-88108, AK106088, Q206, 4-chloro-1-hydroxy-1-butanesulfonate sodium, FT-0654510, sodium 4-chloro-1-hydroxy-1-butanesulfonate, 4-chloro butyraldehyde sodium bisulphite adduct, 4-Chloro-1-hydroxy-1-butane sulfonate sodium salt, A830099, sodium 4-chloranyl-1-oxidanyl-butane-1-sulfonate, 4-chloro-1-hydroxybutane sulphonic acid sodium salt

Molecular Formula: C4H8ClNaO4SMolecular Weight: 210.611689 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LLLJQYKPVYUIGX-UHFFFAOYSA-M

• Sorafenib tosylate
IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide; 4-methylbenzenesulfonic acid | CAS Registry Number: 475207-59-1
Synonyms: Nexavar, Xarelto, Sorafenib tosilate, Nexavar(R), Nexavar (TN), Sorafenib tosilate (JAN), Sorafenib tosylate (USAN), Sorafenib tosylate [USAN], BAY 43-9006 tosylate, NSC724772, CID406563, BAY 43-9006, BAY 54-9085, LS-186598, D06272, 2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-, mono(4-methylbenzenesulfonate), 4-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido]-phenoxy} -pyridine-2-carboxylic acid methylamide-4-methylbenzenesulfonate

Molecular Formula: C28H24ClF3N4O6SMolecular Weight: 637.026570 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: IVDHYUQIDRJSTI-UHFFFAOYSA-N

• Sulpiride
IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide | CAS Registry Number: 15676-16-1
Synonyms: sulpiride, Aiglonyl, Sulpirid, Sulpyrid, Guastil, Levosulpiride, Dogmatil, Dogmatyl, Dolmatil, Mirbanil, Misulvan, Psicocen, Eglonyl, Miradol, Neogama, Omperan, Splotin, Abilit, Meresa, Calmoflorine

Molecular Formula: C15H23N3O4SMolecular Weight: 341.425820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BGRJTUBHPOOWDU-UHFFFAOYSA-N

• Sultamicillin
IUPAC Name: [(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 76497-13-7
Synonyms: sultamicilina, sultamicillinum, Sultamicillin (USAN/INN), CHEBI:51770, VD 1827, D05972, ({6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carbonyl}oxy)methyl 2,2-dimethylpenam-3alpha-carboxylate 1,1-dioxide, [(2,2-dimethyl-1,1-dioxidopenam-3alpha-carbonyl)oxy]methyl 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate

Molecular Formula: C25H30N4O9S2Molecular Weight: 594.657100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: OPYGFNJSCUDTBT-PMLPCWDUSA-N

• SULTAMICILLIN
IUPAC Name: disodium;(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;(1R,4S)-3,3-dimethyl-2,2,6-trioxo-2$l^{6}-thiabicyclo[3.2.0]heptane-4-carboxylate | CAS Registry Number: 117060-71-6
Synonyms: Unacyne, Unacid, Unasyn-S, Yucion-S, Ampicillin / sulbactam, Ampicillin sodium / sulbactam sodium, Sodium ampicillin - sodium sulbactam, Ampicillin sodium mixture with sulbactam sodium

Molecular Formula: C25H29N3Na2O9S2Molecular Weight: 625.621999 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 11

InChIKey: NWOYIVRVSJDTLK-YSDBFZIDSA-L

• Sultamicillin Tosylate
IUPAC Name: [(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 4-methylbenzenesulfonic acid | CAS Registry Number: 83105-70-8
Synonyms: Bacimex, Unacim, Unasyn, Sultamicillin tosilate, SULTAMICILLIN TOSYLATE, CID444021, VD-1827, CP-49952, C13129

Molecular Formula: C32H38N4O12S3Molecular Weight: 766.858720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: FFCSPKNZHGIDQM-CGAOXQFVSA-N

• Taurolidine
IUPAC Name: 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide | CAS Registry Number: 19388-87-5
Synonyms: Taurolin, TAUROLIDINE, Taurolidina, Taurolidinum, Tauroflex, Tauroline, Taurolidine (INN), Taurolidinum [INN-Latin], Taurolidina [INN-Spanish], Taurolidine [BAN:INN], C7H16N4O4S2, EINECS 243-016-5, CID29566, ZINC19322537, LS-173774, D07146, bis(1,1-dioxo-perhydro-1,2,4-thiadiazinyl-4)methane, bis- (1,1-dioxoperhydro-1,2,4-thiadiazinyl-4)methane, 4,4'-Methylenebis(tetrahydro-1,2,4-thiadiazine 1,1-dioxide), 4,4'-methylenebis-(tetrahydro-1,2,4-thiadiazine- 1,1-dioxide)

Molecular Formula: C7H16N4O4S2Molecular Weight: 284.356340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: AJKIRUJIDFJUKJ-UHFFFAOYSA-N

• Tegaserod maleate
IUPAC Name: (E)-but-2-enedioic acid; 1-[[(Z)-[5-(hydroxymethyl)indol-3-ylidene]methyl]amino]-2-pentylguanidine | CAS Registry Number: 189188-57-6
Synonyms: Zelnorm, Zelmac, Tagaserod maleate, Tegaserod maleate[USAN], Tegaserod maleate [USAN], SDZ-HTF 919, HTF 919, LS-186567, 3-(5-Methoxy-1H-indol-3-ylmethylene)-N-pentylcarbazimidamide hydrogen maleate, Hydrazinecarboximidamide, 2-((5-methoxy-1H-indol-3-yl)methylene)-N-pentyl-, (2Z)-2-butenedioate (1:1), 145158-71-0

Molecular Formula: C20H27N5O5Molecular Weight: 417.458880 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: PINGCSUEYQYSEB-GFQXDJOGSA-N

• Tenofovir Disoproxil
IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate | CAS Registry Number: 201341-05-1
Synonyms: PMPA prodrug, Bis(POC)PMPA, Tenofovir disoproxil, Tenofovir Disoproxil Fumarate, Viread (*1:1 Fumarate salt*), AIDS080741, Bis(isopropyloxymethylcarbonyl)PMPA, AIDS-080741, GS 4331-05 (*1:1 Fumarate salt*), LS-187012, LS-187786, 202138-50-9 (1:1 FUMARATE SALT), 9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine, 9-[(R)-2-[[Bis[[(isopropoxycarbonyl)oxy] methoxy]phosphinyl]methoxy]propyl]adenine, TDF

Molecular Formula: C19H30N5O10PMolecular Weight: 519.442761 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 15

InChIKey: JFVZFKDSXNQEJW-CQSZACIVSA-N

• Tenofovir Disoproxil Fumarate
IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate; (E)-but-2-enedioic acid | CAS Registry Number: 202138-50-9
Synonyms: Viread, Tenofovir DF, Truvada, PMPA prodrug, Mixture Name, Viread (TN), Bis(POC)PMPA, HSDB 7165, Tenofovir Disoproxil Fumarate [USAN], C19H30N5O10P.C4H4O4, GS-US-104-0321, GS 4331-05, Tenofovir disoproxil fumarate (JAN/USAN), LS-173814, GS-4331-05, D01982, 9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine, fumarate, TDF, 9-((R)-2-((bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine,fumarate, (R)-5-((2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis(1-methylethyl) ester, 5-oxide, (E)-2-butenedioate (1:1)

Molecular Formula: C23H34N5O14PMolecular Weight: 635.514921 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 19

InChIKey: VCMJCVGFSROFHV-WZGZYPNHSA-N

• Tert-Butyl 2,6-Dichloroisonicotinate
IUPAC Name: tert-butyl 2,6-dichloropyridine-4-carboxylate | CAS Registry Number: 75308-46-2
Synonyms: tert-Butyl 2,6-Dichloroisonicotinate, AG-H-00114, 2,6-Dichloro-4-pyridinecarboxylic Acid tert-Butyl Ester, PubChem11170, ACMC-209oxw, CTK5E1413, MolPort-001-769-371, ANW-36594, OR6618, ZINC16124403, AKOS013153003, QC-9660, AK-83584, KB-80868, 2,6-Dichloroisonicotinic Acid t-butyl ester, B3595, tert-butyl 2,6-dichloropyridine-4-carboxylate, 2,6-Dichloroisonicotinic Acid tert-Butyl Ester, tert-Butyl 2,6-Dichloro-4-pyridinecarboxylate, A838374

Molecular Formula: C10H11Cl2NO2Molecular Weight: 248.105840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PLRVIRHWKQKSAK-UHFFFAOYSA-N

• Thiamiprine
IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purin-2-amine | CAS Registry Number: 5581-52-2
Synonyms: Tiamiprine, Tiamiprin, Guaneran, Aminoazathioprin, Thiamiprin, THIAMIPRINE, Imidazolylthioguanine, Tiamiprina, Tiamiprinum, 6-Benzylaminopurine, Thiamiprine [USAN], Tiamiprinum [INN-Latin], Tiamiprina [INN-Spanish], UNII-E2EV7ZDD1M, Thiamiprine (USAN/INN), C9H8N8O2S, BW 57-323H, NSC-38887, NSC38887, EINECS 226-977-5

Molecular Formula: C9H8N8O2SMolecular Weight: 292.277220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: YFTWHEBLORWGNI-UHFFFAOYSA-N

• Thieno[3,2-c]pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-, hydrochloride
IUPAC Name: 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one;hydrochloride | CAS Registry Number: 115473-15-9
Synonyms: 5,6,7,7a-tetrahydrothieno[3,2-C]pyridine-2(4H)-one Hydrochloride, 5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride, 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine-2(4H)-onehydrochloride, 5,6,7,7a-Tetrahydrothieno(3,2-c)pyridine-2(4H)-one HCl, 5,6,7,7a-tetrahydrothieno(3,2-c)pyridine-2(4h)-one hydrochloride, 5,6,7,7A-TETRAHYDROTHIENO[3,2-C]PYRIDINE-2(4H)-ONE HCL, zlchem 147, PubChem22143, SureCN24450, ACMC-1C7KU, athienocpyridinonehydrochloride, CTK0I3373, ZLB0136, ACT06209, ANW-50996, FC1326, SBB091353, AKOS005073562, AG-D-36522, MCULE-3124302392

Molecular Formula: C7H10ClNOSMolecular Weight: 191.678400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PUQKTVAKLPDUAW-UHFFFAOYSA-N

• Thyminose
IUPAC Name: (2S,4S,5R)-oxane-2,4,5-triol | CAS Registry Number: 533-67-5
Synonyms: D-2-Deoxyribose, D-2-Desoxyribose, 2-Deoxy-alpha-D-ribopyranose, CHEBI:27806, ZINC00164946, 2-deoxy-alpha-D-erythro-pentopyranose, C08347

Molecular Formula: C5H10O4Molecular Weight: 134.130500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: ZVQAVWAHRUNNPG-LMVFSUKVSA-N

• Timolol Maleate
IUPAC Name: (Z)-but-2-enedioic acid; (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol | CAS Registry Number: 26921-17-5
Synonyms: Timolol maleate, Blocadren, Timoptic, Istalol, Timolide, Timacor, Betime, Timoptol, Cosopt, l-Timolol maleate, Mixture Name, Timoptic-XE, Timoptic?XE, Blocadren (TN), Timoptic (TN), Timoptic in Ocudose, Istalol (TN), Timolol maleate salt, Timolol hydrogen maleate, (S)-Timolol hydrogen maleate

Molecular Formula: C17H28N4O7SMolecular Weight: 432.491820 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 11

InChIKey: WLRMANUAADYWEA-NWASOUNVSA-N

• TMB
IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline | CAS Registry Number: 54827-17-7
Synonyms: 3,3',5,5'-TETRAMETHYLBENZIDINE, CCRIS 4727, HSDB 4331, T2885_SIGMA, T4444_SIGMA, T5525_SIGMA, 3,5,3',5'-Tetramethylbenzidine, 860336_ALDRICH, 09743_FLUKA, 87748_FLUKA, EINECS 259-364-6, BRN 2808541, ZINC00057517, LS-1349, NCGC00091075-01, ST5306987, 3,3',5,5'-tetramethylbiphenyl-4,4'-diamine, T-2095, T-2100, 3,3',5,5'-Tetramethyl(1,1'-biphenyl)-4,4'-diamine

Molecular Formula: C16H20N2Molecular Weight: 240.343400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: UAIUNKRWKOVEES-UHFFFAOYSA-N

• TMB dihydrochloride
IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline dihydrochloride | CAS Registry Number: 64285-73-0
Synonyms: T3405_SIGMA, EINECS 264-769-6, CID174033, 3,3',5,5'-TETRAMETHYLBENZIDINE, LT03330181, T-2145, T-2150, 3,3',5,5'-Tetramethylbenzidine dihydrochloride, 3,3',5,5'-Tetramethyl(1,1'-biphenyl)-4,4'-diamine dihydrochloride, 4,4'-Diamino-3,3',5,5'-tetramethylbiphenyl dihydrochloride, (1,1'-Biphenyl)-4,4'-diamine, 3,3',5,5'-tetramethyl-, dihydrochloride, (1,1'-Biphenyl)-4,4'-diamine, 3,3',5,5'-tetramethyl-, hydrochloride (1:2)

Molecular Formula: C16H22Cl2N2Molecular Weight: 313.265280 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: NYNRGZULARUZCC-UHFFFAOYSA-N

• TMB-PS
IUPAC Name: sodium;3-[4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylanilino]propane-1-sulfonate | CAS Registry Number: 102062-36-2
Synonyms: 102062-46-4, Sodium 3-((4'-amino-3,3',5,5'-tetramethyl-[1,1'-biphenyl]-4-yl)amino)propane-1-sulfonate, TMBZ.PS, MolPort-016-580-277, ANW-59714, AKOS016003799, AK-40147, KB-259788, V1319, N-(3-Sulfopropyl)-3,3',5,5-tetramethylbenzidine,, N-(3-Sulfopropyl)-3,3',5,5'-tetramethylbenzidine sodium salt, 4-Amino-4 inverted exclamation marka-sulfopropylamino-3,3 inverted exclamation marka,5,5 inverted exclamation marka-tetramethylbiphenyl sodium salt, N-(3-Sulfopropyl)-3,3 inverted exclamation marka,5,5 inverted exclamation marka-tetramethylbenzidine sodium salt

Molecular Formula: C19H25N2NaO3SMolecular Weight: 384.468169 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: JOBKFCDDANZFOP-UHFFFAOYSA-M

• Toremifene
IUPAC Name: 2-[4-[(Z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine | CAS Registry Number: 89778-26-7
Synonyms: toremifene, Acapodene, Fareston, Farestone, Z-Toremifene, Estrimex, Toremifenum [Latin], Toremifeno [Spanish], Toremifene [INN:BAN], TOREMIFENE CITRATE, GTX-006 (Acapodene), C26H28ClNO, Toremifene Citrate (1:1), FC-1157a, GTx 006, GTx-006, CHEBI:9635, BB_SC-4133, NK-622, DB00539

Molecular Formula: C26H28ClNOMolecular Weight: 405.959620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XFCLJVABOIYOMF-QPLCGJKRSA-N

• Tranexamic acid
IUPAC Name: 4-(aminomethyl)cyclohexane-1-carboxylic acid | CAS Registry Number: 1197-18-8
Synonyms: tranexamic acid, Tranexamsaeure, Cyklokapron, Rikavarin, Transamin, Tranhexamic acid, Cyclocapron, Amikapron, Frenolyse, Trasamlon, Anvitoff, Carxamin, Emorhalt, Tranexan, Amstat, Mastop, Tamcha, Ugurol, Trans AMCHA, trans-Amcha

Molecular Formula: C8H15NO2Molecular Weight: 157.210200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GYDJEQRTZSCIOI-UHFFFAOYSA-N

• Trans 4-Amino Cyclohexanol
IUPAC Name: 4-aminocyclohexan-1-ol | CAS Registry Number: 27489-62-9
Synonyms: 4-Aminocyclohexanol, nchembio.87-comp52, trans-4-Aminocyclohexanol, trans-4-Amino-cyclohexanol, trans-4-Aminocyclohexan-1-ol, Cyclohexanol, 4-amino-, trans-, EINECS 229-943-8, EINECS 248-492-8, SBB005825, TL8002212, 6850-65-3

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IMLXLGZJLAOKJN-UHFFFAOYSA-N

• Trans-4-aminocyclohexanol
IUPAC Name: 4-aminocyclohexan-1-ol | CAS Registry Number: 247489-62-9
Synonyms: trans-4-Aminocyclohexanol, 4-Aminocyclohexanol, 4-aminocyclohexan-1-ol, 27489-62-9, cis-4-Aminocyclohexanol, 6850-65-3, 40525-78-8, Cyclohexanol, 4-amino-, trans-, aminocyclohexanol(trans-4), trans-4-Amino-cyclohexanol, trans-4-Hydroxycyclohexylamine, (1r,4r)-4-aminocyclohexan-1-ol, trans-4-Amino-1-hydroxycyclohexane, SBB005825, PubChem5726, PubChem20492, ACMC-209gxm, 4-amino-1-cyclohexanol, Cyclohexanol, 4-amino-, 4-azanylcyclohexan-1-ol

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IMLXLGZJLAOKJN-UHFFFAOYSA-N

• trans-4-Aminocyclohexanol Hydrochloride
IUPAC Name: 4-aminocyclohexan-1-ol;hydrochloride | CAS Registry Number: 50910-54-8
Synonyms: trans-4-Aminocyclohexanol hydrochloride, cis-4-Aminocyclohexanol hydrochloride, 56239-26-0, cis-4-aminocyclohexanol hcl, Cyclohexanol, 4-amino-, hydrochloride, trans-4-Hydroxycyclohexylamine hydrochloride, 4-aminocyclohexan-1-ol hydrochloride, cis 4-aminocyclohexanol hydrochloride, ST50824300, PubChem19763, PubChem24009, PubChem24394, ACMC-209zgu, AC1LAX5S, SureCN242771, SureCN242772, SureCN549259, trans-4-Aminocyclohexanol HCl, 263761_ALDRICH, 07622_FLUKA

Molecular Formula: C6H14ClNOMolecular Weight: 151.634460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: RKTQEVMZBCBOSB-UHFFFAOYSA-N

• trans-Zeatin
IUPAC Name: (E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol | CAS Registry Number: 1637-39-4
Synonyms: Zeatin, Zeatine, (E)-Zeatin, 2flh, trans-Zeatin hydrochloride, Ambap6239, trans-Zeatin-8-14C, t10c12 CLA, MLS001074742, Z0164_SIGMA, Z0876_SIGMA, Z1626_SIGMA, Z2753_SIGMA, N6-(4-Hydroxyisopentenyl)adenine, CHEBI:15333, CHEBI:16522, TNP00322, BRN 0616241, ZINC04492895, NCGC00017372-01

Molecular Formula: C10H13N5OMolecular Weight: 219.243120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: UZKQTCBAMSWPJD-FARCUNLSSA-N

• Tropisetron Citrate
IUPAC Name: 2-[4-[(Z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid | CAS Registry Number: 89778-27-8
Synonyms: Fareston, TOREMIFENE CITRATE, toremifene, Fareston (TN), Ambap4022, Toremifene citrate [USAN], CCRIS 6719, FC 1157a, MLS001306432, MLS001424189, C26H28ClNO.C6H8O7, Toremifene citrate (JAN/USAN), NK 622, NSC613680, AIDS156396, NSC 613680, AIDS-156396, CPD000469213, LS-64922, SAM001246774

Molecular Formula: C32H36ClNO8Molecular Weight: 598.083140 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: IWEQQRMGNVVKQW-OQKDUQJOSA-N

• Voriconazole
IUPAC Name: (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol | CAS Registry Number: 137234-62-9
Synonyms: Vfend, Vfend (TN), Pfizer brand of voriconazole, MLS000759464, MLS001424082, Voriconazole (JAN/USAN/INN), Voriconazole [USAN:BAN:INN], Voriconazole [USAN:INN:BAN], DRG-0301, AIDS045515, AIDS-045515, UK-109496, UK-109,496, DB00582, CPD000466350, SAM001246664, SMR000466350, LS-181799, TL8000858, UK 109496

Molecular Formula: C16H14F3N5OMolecular Weight: 349.310470 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: BCEHBSKCWLPMDN-MGPLVRAMSA-N

• XANTHINE (CAS: 68-89-6)
• Xanthine
IUPAC Name: 3,7-dihydropurine-2,6-dione | CAS Registry Number: 69-89-6
Synonyms: xanthine, Pseudoxanthine, Isoxanthine, Xanthin, Xanthic oxide, 2,6-dioxopurine, Purine analog, 7H-xanthine, 9H-xanthine, Purine-2,6-diol, 1H-Purine-2,6-diol, 2-Oxohypoxanthine, 2,6-Dihydroxypurine, Xanthine (VAN), nchembio.92-comp4, 9H-Purine-2,6-diol, 2,6(1,3)-Purinedion, USAF CB-17, CCRIS 994, MolMap_000070

Molecular Formula: C5H4N4O2Molecular Weight: 152.110860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: LRFVTYWOQMYALW-UHFFFAOYSA-N

• Z-7-chloro-2-(S-2,2-dimethylcyclopropane carboxamido)-2-hetenate sodium
IUPAC Name: (Z)-3-chloro-2-methyl-3-phenylprop-2-enal | CAS Registry Number: 31357-82-1
Synonyms: 31357-81-0, (Z)-3-CHLORO-2-METHYL-3-PHENYL-ACRYLALDEHYDE, AC1LD6K8, SCHEMBL12657759, ZINC32302981, AKOS005257012, (E)-2-Methyl-3-chloro-3-phenylpropenal, (Z)-2-Methyl-3-chloro-3-phenylpropenal, alpha-Methyl-beta-chlorobenzeneacrylaldehyde, (Z)-3-chloro-2-methyl-3-phenylprop-2-enal

Molecular Formula: C10H9ClOMolecular Weight: 180.631 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KEAJNYRGWHUHDL-NTMALXAHSA-N

• Zeatin
IUPAC Name: (E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol | CAS Registry Number: 6025-81-6
Synonyms: trans-Zeatin, 1637-39-4, (E)-Zeatin, Zeatine, CHEBI:16522, Trans-zeatin (synthetic), trans-Zeatin hydrochloride, (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-, (E)-, (E)-2-methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, BRN 0616241, ST057583, N6-(4-Hydroxy-3-methyl-2-buten-1-yl)adenine, (E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol, 2-BUTEN-1-OL, 2-METHYL-4-(PURIN-6-YLAMINO)-, (E)-, 131140-27-7, 6-(4-Hydroxy-3-methylbut-2-enylamino)purine, 6-[4-Hydroxy-3-methylbut-2-enylamino]purine, (E)-2-methyl-4-(7H-purin-6-ylamino)-2-buten-1-ol

Molecular Formula: C10H13N5OMolecular Weight: 219.243120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: UZKQTCBAMSWPJD-FARCUNLSSA-N

• 3-Amino-5-Fluoropyridine
IUPAC Name: 5-fluoropyridin-3-amine | CAS Registry Number: 210169-05-4
Synonyms: 3-Amino-5-fluoropyridine, 5-fluoropyridin-3-amine, 5-Amino-3-fluoropyridine, 3-Pyridinamine, 5-fluoro-, 5-fluoro-3-pyridylamine, 3-Amine-5-fluoro-pyridin, 5-fluorpyridin-3-amin, 5-Fluoro-3-pyridinamine, 3-FLUORO-5-AMINOPYRIDINE, 3-AMINO-5-FLUORO-PYRIDIN, 5-FLUOROPYRIDIN-3-YLAMINE, 3-AMINE-5-FLUORO-PYRIDINE, SBB069767, AG-E-54217, 462652-33-1, PubChem1260, AC1LCCQD, ACMC-209fgo, SureCN70399, AC1Q4O6F

Molecular Formula: C5H5FN2Molecular Weight: 112.105003 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZRORIJXOWXYPMO-UHFFFAOYSA-N

• 4-Chloro-2,6-dimethylpyrimidine
IUPAC Name: 4-chloro-6-methylpyrimidin-2-amine | CAS Registry Number: 5600-21-5
Synonyms: AM (inhibitor), AM (pesticide), prepn. AM, AM (nitrification inhibitor), MLS000389365, 2-AMINO-4-CHLORO-6-METHYLPYRIMIDINE, 2-Pyrimidinamine, 4-chloro-6-methyl-, 122882_ALDRICH, NSC 7892, 4-chloro-6-methylpyrimidin-2-amine, EINECS 227-018-3, NSC7892, NSC 23661, 4-Chloro-6-methylpyrimidin-2-ylamine, AIDS020790, Pyrimidine, 2-amino-4-chloro-6-methyl-, AIDS-020790, NSC23661, BRN 0114297, 2-Amino-6-chloro-4-methylpyrimidine

Molecular Formula: C5H6ClN3Molecular Weight: 143.574240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NPTGVVKPLWFPPX-UHFFFAOYSA-N

• 5H-Pyrrolo[2,3-d]pyrimidin-4-amine, 6,7-dihydro-
IUPAC Name: 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine | CAS Registry Number: 856600-01-6
Synonyms: 6,7-Dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine, AK-86657, PubChem13042, SCHEMBL2606409, CTK8B4277, ACT06075, ANW-44585, FCH886749, ZINC75629407, AKOS006307042, RTR-026752, HE030217, AJ-121787, AX8226755, 4CH-011500, 5h-pyrrolo[2,3-d]pyrimidin-4-amine, 6,7-dihydro-, 4-amino-5h-pyrrolo[3,2-d]pyrimidine-2-thiol sulfate (1:1)

Molecular Formula: C6H8N4Molecular Weight: 136.158 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JTAXQEXXMJBSMX-UHFFFAOYSA-N

• 4,5,6,7-Tetrahydro-1h-Benzoimidazole-5-Carboxylic Acid
IUPAC Name: 4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid | CAS Registry Number: 26751-24-6
Synonyms: 4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid, AG-E-84549, 4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylicacid, 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-5-carboxylic acid, SureCN3176454, SureCN6851022, BEN415, CTK2H6778, MolPort-000-006-419, tetrahydrobenzimidazolecarboxylicacid, WTI-10033, AKOS005765993, AC-6729, MCULE-2502266097, RP10370, SS-3113, AK-61371, KB-35529, A5260, FT-0647966

Molecular Formula: C8H10N2O2Molecular Weight: 166.177200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LQXRWFGXMQZLIV-UHFFFAOYSA-N

• 1-Methyl-5-Chloro Imidazole
IUPAC Name: 5-chloro-1-methylimidazole | CAS Registry Number: 872-49-1
Synonyms: 5-Chloro-1-methylimidazole, 5-Chloro-1-methyl-1H-imidazole, 1H-Imidazole, 5-chloro-1-methyl-, 330205_ALDRICH, ALBB-008663, EINECS 212-827-6, SBB004296, ZINC01845610, FR-0523, AA-516/30012007, InChI=1/C4H5ClN2/c1-7-3-6-2-4(7)5/h2-3H,1H

Molecular Formula: C4H5ClN2Molecular Weight: 116.548900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NYDGOZPYEABERA-UHFFFAOYSA-N

• 2-(3-Chlorophenoxy) Propionic Acid
IUPAC Name: 2-(3-chlorophenoxy)propanoic acid | CAS Registry Number: 101-10-0
Synonyms: Cloprop, Metachlorphenprop, Fruitone CPA, Amchem 3-CP, Caswell No. 206, Cloprop [ISO:PROP], 3CPA, 2-(3-Chlorophenoxy)propanoic acid, HSDB 6594, 2-(m-Chlorophenoxy)propionic acid, 233013_ALDRICH, Propionic acid, 2-(m-chlorophenoxy)-, EINECS 202-915-2, Propanoic acid, 2-(3-chlorophenoxy)-, CID7542, 2-(3-CHLOROPHENOXY)PROPIONIC ACID, EPA Pesticide Chemical Code 021201, BRN 1876444, NCGC00160360-01, NCGC00160360-02

Molecular Formula: C9H9ClO3Molecular Weight: 200.618960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YNTJKQDWYXUTLZ-UHFFFAOYSA-N

• 2,6-DichloroPurine
IUPAC Name: 2,6-dichloro-7H-purine | CAS Registry Number: 5451-40-1
Synonyms: 2,6-Dichloropurine, 2, 6-Dichloropurine, Purine, 2,6-dichloro-, 2,6-dichloro-9H-purine, 2,6-Dichloro-1H-purine, 1H-Purine, 2,6-dichloro-, 2,6-DICHLORO PURINE, D73103_ALDRICH, 9H-purine, 2,6-dichloro-, 36390_FLUKA, AIDS021810, BM032, AIDS-021810, NSC18395, EINECS 226-681-6, NSC 18395, SBB000271, ZINC01769175, 1H-Purine, 2,6-dichloro- (9CI), KS-1014

Molecular Formula: C5H2Cl2N4Molecular Weight: 189.002180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RMFWVOLULURGJI-UHFFFAOYSA-N

• 2,4-Dichloro-5-fluoropyrimidine
IUPAC Name: 2,4-dichloro-5-fluoropyrimidine | CAS Registry Number: 2927-71-1
Synonyms: NCIOpen2_000539, 653233_ALDRICH, NSC70442, CID250705, ZINC01696262, Pyrimidine, 5-fluoro-2,4-dichloro-, A3960/0168745

Molecular Formula: C4HCl2FN2Molecular Weight: 166.968543 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WHPFEQUEHBULBW-UHFFFAOYSA-N

• 5-Bromo-2-iodopyrimidine
IUPAC Name: 5-bromo-2-iodopyrimidine | CAS Registry Number: 183438-24-6
Synonyms: 5-bromo-2-iodo-pyrimidine, SBB054488, AG-E-33146, ZINC02244205, PubChem6900, ACMC-1C1ED, KSC174Q9H, 637750_ALDRICH, Jsp003760, 5-bromanyl-2-iodanyl-pyrimidine, 5-BROMO-2-IODPYRIMIDINE, CTK0H4893, 2-IODO-5-BROMOPYRIMIDINE, MolPort-000-139-969, ACN-S002243, ACN-S004413, ACT01645, ANW-23156, AKOS005137881, 5-BROMO-2-IODO-1,3-DIAZINE

Molecular Formula: C4H2BrIN2Molecular Weight: 284.880550 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZEZKXPQIDURFKA-UHFFFAOYSA-N

• (R)-5-bromo-3-(1-methyl-2-pyrrolidinyl methyl)-1H-indole
IUPAC Name: 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole | CAS Registry Number: 143322-57-0
Synonyms: (R)-5-bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indole, (R)-5-Bromo-3-(N-methylpyrrolidine-2-ylmethyl)-1H-Indole, (R)-5-Bromo-3-[(1-methyl-2-pyrrolidinyl)methyl]-1H-indole, 5-bromo-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-Indole, PubChem2116, -1H-INDOLE, SureCN697582, (R)-5-Bromo-3-(1-methyl-pyrrolidin-2-ylmethyl)-1H-indole, Jsp002542, CTK6I2568, MolPort-020-014-401, ACT04784, ANW-57742, AKOS015834491, AKOS015895955, AG-C-29939, AM84391, LS30062, RL01784, AK-49397

Molecular Formula: C14H17BrN2Molecular Weight: 293.202180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JCXOJXALBTZEFE-GFCCVEGCSA-N

• 2-Amino-5-fluoropyridine
IUPAC Name: 5-fluoropyridin-2-amine | CAS Registry Number: 21717-96-4
Synonyms: 5-fluoropyridin-2-amine, 518689_ALDRICH, ZERO/006220, ALBB-006132, A109, TL8001800, InChI=1/C5H5FN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8

Molecular Formula: C5H5FN2Molecular Weight: 112.105003 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YJTXQLYMECWULH-UHFFFAOYSA-N

• (R)-3-Amino-Piperidine dihydrochloride
IUPAC Name: (3R)-piperidin-3-amine;dihydrochloride | CAS Registry Number: 334618-23-4
Synonyms: (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE, (R)-(-)-3-Aminopiperidine dihydrochloride, (R)-3-Piperidinamine dihydrochloride, (R)-3-Aminopiperidine 2hcl, R-3-Aminopiperidine Dihydrochloride, (R)-(-)-3-Aminopiperidine 2HCl, (r)-piperidin-3-amine dihydrochloride, (3R)-piperidin-3-amine dihydrochloride, (R)-3-AminopiperidineDihydrochloride, PubChem3013, SureCN306090, KSC495Q2L, 15626_ALDRICH, 666297_ALDRICH, 15626_FLUKA, CTK3J5825, MolPort-000-000-370, R-3-AMINO PIPERIDINE DIHCL, ACN-S003802, ACT04891

Molecular Formula: C5H14Cl2N2Molecular Weight: 173.084060 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: GGPNYXIOFZLNKW-ZJIMSODOSA-N


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