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• Idebenone
IUPAC Name: 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 58186-27-9
Synonyms: idebenone, Cerestabon, Sovrima, Catena, Mnesis, Avan, Idebenonum [Latin], Idebenona [Spanish], Idebenone [INN:JAN], Idebenone (JAN/INN), SNT-MC17, MLS000759487, MLS001424002, QSA-10, BB_NC-1322, C19H30O5, CV 2619, CV-2619, BRN 2001459, ZINC01542890

Molecular Formula: C19H30O5Molecular Weight: 338.438500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: JGPMMRGNQUBGND-UHFFFAOYSA-N

• Imidocarb
IUPAC Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea | CAS Registry Number: 27885-92-3
Synonyms: Imizad (dipropionate), Imizol (dipropionate), Imidocarbe [INN-French], Imidocarbum [INN-Latin], Imidocarbo [INN-Spanish], Imidocarb [INN:BAN], Imidocarb dihydrochloride, 4A65 (dihydrochloride), Imizocarb (dihydrochloride), TimTec1_002508, C19H20N6O, CHEBI:51804, EINECS 248-711-7, NSC 51189, AIDS000226, AIDS-000226, CID21389, NSC51189, BRN 0964732, 1,3-Bis(3-(2-imidazolin-2-yl)phenyl)urea

Molecular Formula: C19H20N6OMolecular Weight: 348.401700 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: SCEVFJUWLLRELN-UHFFFAOYSA-N

• Imidocarb dipropionate
IUPAC Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea; propanoic acid | CAS Registry Number: 55750-06-6
Synonyms: MLS001336005, MLS001336006, EINECS 259-791-8, CID114961, SMR000875323, N,N'-Bis(3-(4,5-dihydro-1H-imidazol-2-yl)phenyl)urea dipropionate, Propanoic acid, compd. with N,N'-bis(3-(4,5-dihydro-1H-imidazol-2-yl)phenyl)urea (2:1)

Molecular Formula: C22H26N6O3Molecular Weight: 422.480240 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: IRPJGGHUXQZOQW-UHFFFAOYSA-N

• Iminodibenzyl Carbonyl Chloride
IUPAC Name: 5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl chloride | CAS Registry Number: 33948-19-5
Synonyms: 308943_ALDRICH, Iminodibenzyl-5-carbonyl chloride, ZINC00336099, EINECS 251-756-5, CID118579, ST5411497, AN-668/25043001, 10,11-Dihydro-dibenz[b,f]azepine-5-carbonyl chloride, 5-Chlorcarbonyl-10,11-dihydro-5H-dibenz[b,f]-azepin, 10,11-Dihydro-5H-dibenz(b,f)azepine-5-carbonyl chloride, 10,11-Dihydro-5H-dibenzo[b,f]azepine-5-carbonyl chloride, 5H-Dibenz[b,f]azepine-5-carbonyl chloride, 10,11-dihydro-

Molecular Formula: C15H12ClNOMolecular Weight: 257.714880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: COHHZMJBMIHLGF-UHFFFAOYSA-N

• Iminostilbene Carbonyl Chloride
IUPAC Name: benzo[b][1]benzazepine-11-carbonyl chloride | CAS Registry Number: 33948-22-0
Synonyms: 548644_ALDRICH, STOCK3S-54206, ZINC00404102, Dibenz [b,f]azepine-5-carbonyl chloride, 5-(Chlorocarbonyl)-5H-dibenz[b,f]azepine, 5H-Dibenz[b,f]azepine-5-carbonyl chloride

Molecular Formula: C15H10ClNOMolecular Weight: 255.699000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: APJYHXJGXDPGBA-UHFFFAOYSA-N

• Imipenam&Cilastadine Sodium
IUPAC Name: (Z)-7-[(2S)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid; (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | CAS Registry Number: 85960-17-4
Synonyms: Primaxin, Thienam, Zienam, Imipenem-cilastatin, Tienam 500, MK 787-MK 791 mixture, MK 0787-MK 0791 mixture, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1R)-1-hydroxyethyl)-3-((2-((iminomethyl)amino)ethyl)thio)-7-oxo-, (5R,6S)-, mixt. with (2Z)-7-(((2R)-2-amino-2-carboxyethyl)thio)-2-((((1S)-2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-((2-((iminomethyl)amino)ethyl)thio)-7-oxo-, (5R-(5alpha,6alpha(R*)))-, mixt. with (R-(R*,S*-(Z)))-7-((2-amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptanoic acid, 92309-29-0

Molecular Formula: C28H43N5O9S2Molecular Weight: 657.799120 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: NCCJWSXETVVUHK-YWQWCIIKSA-N

• Imipramine hydrochloride
IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine hydrochloride | CAS Registry Number: 113-52-0
Synonyms: Tofranil, Chimoreptin, Feinalmin, Imilanyle, Persamine, Pertofram, Presamine, Pryleugan, Tofranile, Janimine, Teperine, Imizine, Iprogen, Imizin, Psicopramine, Imipramini, Melipramine, Psychoforin, Thymopramin, Chrytemin

Molecular Formula: C19H25ClN2Molecular Weight: 316.868200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XZZXIYZZBJDEEP-UHFFFAOYSA-N

• Imperatorin
IUPAC Name: 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one | CAS Registry Number: 482-44-0
Synonyms: Ammidin, IMPERATORIN, Marmelosin, Pentosalen, 8-Isoamylenoxypsoralen, 8-Isopentenyloxypsoralene, Spectrum_000755, SpecPlus_000755, Spectrum2_000376, Spectrum3_000145, Spectrum4_001422, Spectrum5_000244, CCRIS 4346, Oprea1_407817, BSPBio_001850, KBioGR_001864, KBioSS_001235, SPECTRUM102076, HSDB 3497, MLS000574838

Molecular Formula: C16H14O4Molecular Weight: 270.279960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OLOOJGVNMBJLLR-UHFFFAOYSA-N

• Inabenfide
IUPAC Name: N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide | CAS Registry Number: 82211-24-3
Synonyms: Seritard, Inabenfide [ISO], CGR-811, CID92401, BRN 5351697, LS-130565, 4'-Chloro-2'-(alpha-hydroxybenzyl)isonicotinanilide, C10942, N-(4-Chloro-2-(hydroxyphenylmethyl)phenyl)-4-pyridinecarboxamide, 4-Pyridinecarboxamide, N-(4-chloro-2-(hydroxyphenylmethyl)phenyl)-

Molecular Formula: C19H15ClN2O2Molecular Weight: 338.787600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PFDCOZXELJAUTR-UHFFFAOYSA-N

• Indirubin
IUPAC Name: 2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one | CAS Registry Number: 479-41-4
Synonyms: Indigopurpurin, Indigo Red, KBioGR_000450, KBioSS_000450, KBio2_000450, KBio2_003018, KBio2_005586, KBio3_000839, KBio3_000840, Bio2_000395, Bio2_000875, NSC105327, [.DELTA.2,3'-Biindoline]-2',3-dione, C.I. 73200, 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-

Molecular Formula: C16H10N2O2Molecular Weight: 262.262800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CRDNMYFJWFXOCH-UHFFFAOYSA-N

• Indole-2,4-dicarboxylic acid 2-ethyl ester 4-methyl ester
IUPAC Name: 2-O-ethyl 4-O-methyl 1H-indole-2,4-dicarboxylate | CAS Registry Number: 473883-20-4
Synonyms: 4-METHOXYCARBONYLINDOLE-2-CARBOXYLIC ACID ETHYL ESTER, 4-Methoxycarbonylindole-2-carboxylic acidethyl ester, PubChem1698, CTK8I8181, ZINC02384088, ethyl 4-methoxycarbonylindole-2-carboxylate, KB-193127, KB-201871, KB-202546, indole-2,4-dicarboxylic acid 2-ethyl 4-methyl ester

Molecular Formula: C13H13NO4Molecular Weight: 247.246620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FQDHGBXAWBUTQW-UHFFFAOYSA-N

• Indole-2,5-dicarboxylic acid
IUPAC Name: 1H-indole-2,5-dicarboxylic acid | CAS Registry Number: 117140-77-9
Synonyms: 1H-indole-2,5-dicarboxylic Acid, 5-CARBOXYINDOLE-2-CARBOXYLIC ACID, 1H-Indole-2,5-dicarboxylicacid, PubChem1667, ACMC-1BS5J, AC1N7U8O, SureCN1842307, CTK0H4301, MolPort-000-875-430, SBB063805, AKOS002664593, AG-D-93931, RD-0143, KB-77894, N463, AB1005635, FT-0601332, A803720, I01-2955, Indole-2,5-dicarboxylic acid; 5-Carboxyindole-2-carboxylic acid

Molecular Formula: C10H7NO4Molecular Weight: 205.166880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: MUABQYJAPOQWCH-UHFFFAOYSA-N

• Indole-3-carboxylic acid ethyl ester
IUPAC Name: ethyl 1H-indole-3-carboxylate | CAS Registry Number: 776-41-0
Synonyms: Ethyl indole-3-carboxylate, ethyl 1H-indole-3-carboxylate, NCIOpen2_000288, 681466_ALDRICH, ZINC00335842, NSC63796, CID247965, ST5409127, I-2430, AN-068/14539028

Molecular Formula: C11H11NO2Molecular Weight: 189.210540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XOUHVMVYFOXTMN-UHFFFAOYSA-N

• Indole-4-carboxaldehyde
IUPAC Name: 1H-indole-4-carbaldehyde | CAS Registry Number: 1074-86-8
Synonyms: 4-Formylindole, 1H-Indole-4-carbaldehyde, 1H-Indole-4-carboxaldehyde, 632422_ALDRICH, NSC337264, ALBB-004801, ZERO/008830, CID333703, ZINC01576624, F2311G1, TL8000263, I-2202

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JFDDFGLNZWNJTK-UHFFFAOYSA-N

• Indole-6-carboxaldehyde
IUPAC Name: 1H-indole-6-carbaldehyde | CAS Registry Number: 1196-70-9
Synonyms: 6-Formylindole, 1H-indole-6-carbaldehyde, 632406_ALDRICH, ZINC02577867, BB_SC-4710, ALBB-004799, CID2773435, F2138G1, TL8000525, I-2204

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VSPBWOAEHQDXRD-UHFFFAOYSA-N

• Indole-7-carboxylic acid
IUPAC Name: 1H-indole-7-carboxylic acid | CAS Registry Number: 1670-83-3
Synonyms: 7-Indolecarboxylic acid, 1H-Indole-7-carboxylic acid, Oprea1_470510, Oprea1_510927, CID74281, EINECS 216-801-5, BAS 00733696, ST5169434, EU-0067136, H29042, I-2360

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IPDOBVFESNNYEE-UHFFFAOYSA-N

• Indoleacetyl phenylalanine
IUPAC Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanoic acid | CAS Registry Number: 57105-50-7
Synonyms: IAA-L-Phe, Indole-3-acetylphenylalanine, N-(3-Indolylacetyl)-L-phenylalanine, TL8003676, L-phenylalanine, N-(1H-indol-3-ylacetyl)-, I-1600, L-Phenylalanine, N-(1H-indol-3-ylacetyl)- (9CI)

Molecular Formula: C19H18N2O3Molecular Weight: 322.357820 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: BUGQHORRADGONS-KRWDZBQOSA-N

• Indoline-3-carboxylic acid
IUPAC Name: 2,3-dihydro-1H-indole-3-carboxylic acid | CAS Registry Number: 39891-70-8
Synonyms: 2,3-DIHYDRO-1H-INDOLE-3-CARBOXYLIC ACID, AG-F-41001, PubChem7283, SureCN3749720, CTK1C2194, MolPort-000-003-204, ACT09672, ANW-46468, RW1151, SBB066628, 1H-INDOLINE-3-CARBOXYLIC ACID, AKOS006280722, AB16477, LS20140, AC-11923, AK-86146, I481, KB-52685, 1H-Indole-3-carboxylicacid, 2,3-dihydro-, TL8002879

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RXHBTEVUVWXEBO-UHFFFAOYSA-N

• Ingenol
Synonyms: ingenol, AIDS032969, AIDS-032969, CID463008, 4,5,6-Trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.0<1,5>.0<10,12>]pentadeca-2,7-dien-15-one

Molecular Formula: C20H28O5Molecular Weight: 348.433320 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: VEBVPUXQAPLADL-COBWLJPFSA-N

• Insect repellent M 3535
IUPAC Name: ethyl 3-[acetyl(butyl)amino]propanoate | CAS Registry Number: 52304-36-6
Synonyms: Repellent 3535, BAAPE, EBAAP, Merck 3535, Insect repellent merck 3535, Ethyl butylacetylaminopropionate, EINECS 257-835-0, Ethyl N-acetyl-N-butyl-beta-alaninate, IR 3535, N-Acetyl-N-butyl-beta-alanine, ethyl ester, AI 3-70763, beta-alanine, N-acetyl-N-butyl-, ethyl ester, 3-(N-n-Butyl-N-acetyl)aminopropionic acid ethyl ester, 362607-57-6

Molecular Formula: C11H21NO3Molecular Weight: 215.289340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VZRKEAFHFMSHCD-UHFFFAOYSA-N

• Intermediate of Fenoldopam
IUPAC Name: 6-chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine | CAS Registry Number: 67287-53-0
Synonyms: EINECS 266-633-1, CID6455448, 6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine

Molecular Formula: C19H22ClNO3Molecular Weight: 347.835880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MYTZRTXHMVXREA-UHFFFAOYSA-N

• Iohexol
IUPAC Name: 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide | CAS Registry Number: 66108-95-0
Synonyms: iohexol, Omnipaque, Nycodenz, Exypaque, Histodenz, Omnipaque 240, Omnipaque (TN), Prestwick_802, Ambap698, Iohexolum [INN-Latin], Prestwick0_000512, Prestwick1_000512, Prestwick2_000512, Prestwick3_000512, Iohexol (JAN/USP/INN), BSPBio_000463, Iohexol [USAN:BAN:INN:JAN], MLS001332585, MLS001332586, MLS002153854

Molecular Formula: C19H26I3N3O9Molecular Weight: 821.137850 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 9

InChIKey: NTHXOOBQLCIOLC-UHFFFAOYSA-N

• Iomeprol
IUPAC Name: 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide | CAS Registry Number: 78649-41-9
Synonyms: iomeprol, Iomeprolo, Iomeron, Imeron, Iomeron 300, Iomeprolum [INN-Latin], Iomeron 300 (TN), Iomeprol (JAN/USAN/INN), Iomeprol [USAN:BAN:INN:JAN], LS-29727, D01719, E-7337, B-16880, N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(N-methylglycolamido)isophthalamide, 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-((hydroxyacetyl)methylamino)-2,4,6-triiodo-

Molecular Formula: C17H22I3N3O8Molecular Weight: 777.085290 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 8

InChIKey: NJKDOADNQSYQEV-UHFFFAOYSA-N

• Ipratropium Bromide
IUPAC Name: [(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide | CAS Registry Number: 22254-24-6
Synonyms: ipratropium bromide, Prestwick_279, Ipratropium bromide anhydrous, MLS000069557, CHEBI:46659, SMR000058764, (3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide

Molecular Formula: C20H30BrNO3Molecular Weight: 412.361100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LHLMOSXCXGLMMN-CLTUNHJMSA-M

• Irbesartan
IUPAC Name: 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one | CAS Registry Number: 138402-11-6
Synonyms: irbesartan, Avapro, Aprovel, Karvea, Avalide, Irbetan, Avapro (TN), Irbesartan [USAN:INN], Spectrum_001751, BMS Brand of Irbesartan, Spectrum2_001675, Spectrum3_000994, Spectrum4_001122, Spectrum5_001288, BSPBio_002687, KBioGR_001603, KBioSS_002231, MLS000759408, MLS001424099, BMS 186295

Molecular Formula: C25H28N6OMolecular Weight: 428.529420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YOSHYTLCDANDAN-UHFFFAOYSA-N

• Irsogladine Maleate
IUPAC Name: (Z)-but-2-enedioic acid; 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine | CAS Registry Number: 84504-69-8
Synonyms: irsogladine maleate, Gaslon, Gaslon N, Dicloguamine maleate, Gaslon N (TN), Irsogladine maleate (JAN), MLS001401459, C9H7Cl2N5.C4H4O4, MN-1695, CPD000471621, SAM001246718, SMR000471621, LS-155294, D01658, 2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine maleate, s-Triazine, 2,4-diamino-6-(2,5-dichlorophenyl)-, maleate, 1,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-, (Z)-2-butenedioate (1:1), 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine (2Z)-but-2-enedioate, 57381-26-7

Molecular Formula: C13H11Cl2N5O4Molecular Weight: 372.163540 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: PJLVTVAIERNDEQ-BTJKTKAUSA-N

• Isepamicin sulfate
IUPAC Name: (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide; sulfuric acid | CAS Registry Number: 67814-76-0
Synonyms: Isepacin, isepamicin sulfate, Isepacin (TN), Isepamicin sulfate (JP15), CID636375, D01826

Molecular Formula: C22H45N5O16SMolecular Weight: 667.681600 [g/mol]
H-Bond Donor: 14H-Bond Acceptor: 20

InChIKey: DDXRHRXGIWOVDQ-MGAUJLSLSA-N

• Isethionic acid
IUPAC Name: 2-hydroxyethanesulfonic acid | CAS Registry Number: 107-36-8
Synonyms: Isethionate, Ethanolsulfonic acid, ISETHIONIC ACID, 2-Hydroxyethanesulfonic acid, Hydroxyethylsulfonic acid, Caswell No. 502, Potassium isethionate, 2-Hydroxyethanesulfonate, Ethanesulfonic acid, 2-hydroxy-, USAF DO-14, 2-Hydroxyethanesulphonic acid, Kyselina isethionova [Czech], WLN: WSQ2Q, (2-Hydroxyethyl)sulfonic acid, 2-Hydroxyethane-1-sulfonic acid, EINECS 203-484-3, NSC 60516, Potassium 2-hydroxyethanesulfonate, AIDS155827, EPA Pesticide Chemical Code 047701

Molecular Formula: C2H6O4SMolecular Weight: 126.131640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SUMDYPCJJOFFON-UHFFFAOYSA-N

• Islandicin
IUPAC Name: 1,4,5-trihydroxy-2-methylanthracene-9,10-dione | CAS Registry Number: 476-56-2
Synonyms: Rhodomycelin, Rhodomycin, FUNICULOSIN, ISLANDIN, Funiculosin (VAN), Funiculosin (pigment), Funiculosin (anthraquinone), CCRIS 3476, NSC264955, EINECS 207-506-2, AIDS014884, NSC 264955, AIDS-014884, C15H10O5, BRN 2059061, 1,4,5-Trihydroxy-2-methylanthraquinone, ANTHRAQUINONE, 1,4,5-TRIHYDROXY-2-METHYL-, LS-20716, NCI60_002123, 1,4,5-Trihydroxy-2-methylanthra-9,10-quinone

Molecular Formula: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: FHFHNVHRVKQQHN-UHFFFAOYSA-N

• iso-Guaninesulfate
IUPAC Name: 6-amino-1,7-dihydropurin-2-one; sulfuric acid | CAS Registry Number: 49722-90-9
Synonyms: NSC 28764, CID3084903, 2H-Purin-2-one, 6-amino-1,3-dihydro-, sulfate (2:1)

Molecular Formula: C5H7N5O5SMolecular Weight: 249.204580 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: SGAHUNRLPKBSNM-UHFFFAOYSA-N

• Isoalantolactone
IUPAC Name: (3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one | CAS Registry Number: 470-17-7
Synonyms: STOCK1N-17522, NSC241036, AIDS082321, NSC 241036, NSC 601353, AIDS-082321, CID73285, BRN 0013402, NSC601353, ZINC03882003, AI3-31148, LS-68581, C09484, 4-17-00-05031 (Beilstein Handbook Reference), Eudesma-4(14),11(13)-dien-12-oic acid, 8-beta-hydroxy-, gamma-lactone, Naphtho(2,3-b)furan-2(3H)-one, decahydro-8a-methyl-3,5-bis(methylene)-, (3aR-(3a alpha,4a alpha,8a beta,9a alpha))-, (3aR,4aS,8aR,9aR)-8a-Methyl-3,5-dimethylene-decahydro-naphtho[2,3-b]furan-2-one, Naphtho[2,3-b]furan-2(3H)-one, decahydro-8a-methyl-3,5-bis(methylene)-, [3aR-(3a.alpha.,4a.alpha.,8a.beta.,9a.alpha.)]-

Molecular Formula: C15H20O2Molecular Weight: 232.318100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CVUANYCQTOGILD-QVHKTLOISA-N

• Isobutane
IUPAC Name: 2-methylpropane | CAS Registry Number: 75-28-5
Synonyms: ISOBUTANE, 2-Methylpropane, Trimethylmethane, Propane, 2-methyl-, 1,1-Dimethylethane, Isobutane (NF), A 31 (hydrocarbon), Caswell No. 503A, Alkanes, C4-5, Butane, branched and linear, HSDB 608, R 600a, (CH3)2CH-CH3, 295450_ALDRICH, 539821_ALDRICH, CHEBI:30363, EINECS 200-857-2, CID6360, EPA Pesticide Chemical Code 097101, LS-120832

Molecular Formula: C4H10Molecular Weight: 58.122200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NNPPMTNAJDCUHE-UHFFFAOYSA-N

• Isobutyl (S)-2-chloropropionate
IUPAC Name: 2-methylpropyl (2S)-2-chloropropanoate | CAS Registry Number: 83261-15-8
Synonyms: 51401_FLUKA, EINECS 280-349-5

Molecular Formula: C7H13ClO2Molecular Weight: 164.629920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AEEGJNJYJCGJFZ-LURJTMIESA-N

• Isobutyl-5-Chloro-2,2-Dimethyl Valerate
IUPAC Name: 2-methylpropyl 5-chloro-2,2-dimethylpentanoate | CAS Registry Number: 109232-37-3
Synonyms: Isobutyl 5-chloro-2,2-dimethylvalerate, isobutyl 5-chloro-2,2-dimethylpentanoate, 5-Chloro-2,2-dimethyl-pentanoic acid isobutyl ester, 2-methylpropyl 5-chloro-2,2-dimethylpentanoate, 5-Chloro-2,2-dimethyl-pentanoicacidisobutylester, Pentanoic acid,5-chloro-2,2-dimethyl-, 2-methylpropyl ester, ACMC-20ac11, Jsp000748, CTK4A6374, MolPort-002-499-760, ANW-66515, SBB070807, ZINC02507097, AKOS015900638, AB13858, AG-D-26025, isobutyl 5-chloro-2,2-dimethyl valerate, AK-41263, H411, KB-52721

Molecular Formula: C11H21ClO2Molecular Weight: 220.736240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KPAZLWVDWUAYII-UHFFFAOYSA-N

• Isocarbophos
IUPAC Name: propan-2-yl 2-[amino(methoxy)phosphinothioyl]oxybenzoate | CAS Registry Number: 24353-61-5
Synonyms: Optunal, Caswell No. 574B, Bay 93820, 37901_RIEDEL, CHEBI:38704, EINECS 246-192-1, EPA Pesticide Chemical Code 574300, CID90479, BRN 2946521, AI3-27659, LS-144361, Isopropyl 2-((aminomethoxyphosphinothioyl)oxy)benzoate, isopropyl O-(methoxyaminothiophosphoryl)salicylate, O-Methylphosphoramidothioate, O-ester with isopropyl salicylate, Isopropyl salicylate O-ester with O-methylphosphoramidothioate, O-Methyl phosphoramidothioate, O-ester with isopropyl salicylate, propan-2-yl 2-{[amino(methoxy)phosphorothioyl]oxy}benzoate, Benzoic acid, 2-((aminomethoxyphosphinothioyl)oxy)-, 1-methylethyl ester, O-Methyl O-[2-(isopropoxycarbonyl)phenyl] phosphoramidothioate, Salicylic acid, isopropyl ester, ester with O-methyl phosphoramidothioate

Molecular Formula: C11H16NO4PSMolecular Weight: 289.287801 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: YFVOXLJXJBQDEF-UHFFFAOYSA-N

• Isoconazole nitrate
IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole; nitric acid | CAS Registry Number: 24168-96-5
Synonyms: isoconazole nitrate, Travogen, Travogyn, Fazol, Adestan-G, Adestan G100, Adestan-G (TN), Isoconazole nitrate (JAN), C18H14Cl4N2O.HNO3, EINECS 246-051-4, LS-78380, D01480, R 15,454, R-15454, 1-(2,4-Dichloro-beta-(2,6-dichlorobenzyloxy)phenethyl)imidazole nitrate, 1-(2-((2,6-Dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)imidazole nitrate, 1-(2-(2,4-Dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-1H-imidazole mononitrate, 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-, mononitrate, Imidazole, 1-(2,4-dichloro-beta-((2,6-dichlorobenzyl)oxy)phenethyl)-, mononitrate, 27523-40-6

Molecular Formula: C18H15Cl4N3O4Molecular Weight: 479.141400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: NNGQLSIGRSTLLU-UHFFFAOYSA-N

• Isofraxidin
IUPAC Name: 7-hydroxy-6,8-dimethoxychromen-2-one | CAS Registry Number: 486-21-5
Synonyms: Phytodolor, Ambap5279, Umbelliferone, 6,8-dimethoxy-, Coumarin, 7-hydroxy-6,8-dimethoxy-, AIDS348374, NSC 324637, AIDS-348374, BRN 0202652, NSC324637, ISOFRAXIDIN B814484K143, CID5318565, LS-39687, 7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-, 5-18-04-00332 (Beilstein Handbook Reference), 2H-1- Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-

Molecular Formula: C11H10O5Molecular Weight: 222.194100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HOEVRHHMDJKUMZ-UHFFFAOYSA-N

• Isohomovanillic acid
IUPAC Name: 2-(3-hydroxy-4-methoxyphenyl)acetic acid | CAS Registry Number: 1131-94-8
Synonyms: Homo-iso-vanillic acid, MLS000574994, 4-Methoxy-3-hydroxyphenylacetic acid, 3-Hydroxy-4-methoxybenzeneacetic acid, (3-hydroxy-4-methoxyphenyl)acetic acid, SMR000156294

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BWXLCOBSWMQCGP-UHFFFAOYSA-N

• Isoimperatorin
IUPAC Name: 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one | CAS Registry Number: 482-45-1
Synonyms: Iso-imperatorin, Oprea1_630212, Oprea1_655950, MLS000574919, MLS001048978, MEGxp0_000090, STOCK1N-27740, ACon1_000176, AIDS071126, AIDS-071126, CID68081, ZINC00296185, NCGC00180809-01, SMR000156243, C055542, 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-, 7H-Furo[3,2-g][1]benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-, 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-butenyl)oxy]-

Molecular Formula: C16H14O4Molecular Weight: 270.279960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IGWDEVSBEKYORK-UHFFFAOYSA-N

• Isomannide
IUPAC Name: 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol | CAS Registry Number: 641-74-7
Synonyms: isosorbide, Devicoran, Hydronol, Ismotic, Isobide, Sorbid, Vascardin dinitrate, (+)-D-Isosorbide, 1,4-Dianhydrosorbitol, 1,4:3,6-Dianhydromannitol, Oprea1_439690, 1,4:3,6-Dianhydrosorbitol, Mannitol, 1,4:3,6-dianhydro-, D-Glucitol, 1,4:3,6-dianhydro-, EINECS 248-906-7, 1,4:3,6-Dianhydro-D-glucitol, 1,4:3,6-Dianhydro-D-mannitol, 1,4:3,6-Dianhydro-D-sorbitol, NSC40725, D-Mannitol, 1,4:3,6-dianhydro-

Molecular Formula: C6H10O4Molecular Weight: 146.141200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KLDXJTOLSGUMSJ-UHFFFAOYSA-N

• Isometamidium chloride
IUPAC Name: 3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide chloride | CAS Registry Number: 34301-55-8
Synonyms: chloride, C28H26N7.Cl, Isometamidii chloridum [INN-Latin], EINECS 251-926-9, Chlorure d'isometamidium [INN-French], Cloruro de isometamidio [INN-Spanish], M & B 4180A, A 4180, LS-174463, C11201, Phenanthridinium, 8-(3-(m-amidinophenyl)-2-triazeno)-3-amino-5-ethyl-6-phenyl-, chloride, Phenanthridinium, 3-amino-8-(3-(3-(aminoiminomethyl)phenyl)-1-triazenyl)-5-ethyl-6-phenyl-, chloride, 8-(3-(m-Amidinophenyl)-2-triazeno)-3-amino-5-ethyl-6-phenylphenanthridinium chloride, 20438-03-3

Molecular Formula: C28H26ClN7Molecular Weight: 496.005940 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: QNZJTSGALAVCLH-UHFFFAOYSA-N

• Isoorientin
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | CAS Registry Number: 4261-42-1
Synonyms: Homoorientin, CHEBI:17965, AIDS026707, AIDS-026707, CID114776, NCGC00163566-01, LS-193057, C01821, 2-(3,4-Dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-, (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol

Molecular Formula: C21H20O11Molecular Weight: 448.376900 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: ODBRNZZJSYPIDI-VJXVFPJBSA-N

• Isoorotic Acid Monohydrate
IUPAC Name: 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate | CAS Registry Number: 69727-34-0
Synonyms: SBB059503, AG-G-71785, URACIL-5-CARBOXYLIC ACID MONOHYDRATE, 2,4-dihydroxypyrimidine-5-carboxylic acid hydrate, 2,4-dihydroxypyrimidine-5-carboxylic acid, oxamethane, SureCN2745045, SureCN4487821, CTK5D1099, uracil-5-carboxylic acid momohydrate, AKOS015963421, KB-17602, ST50406975, 16441-EP2281563A1, 16441-EP2316459A1, 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-,monohydrate

Molecular Formula: C5H6N2O5Molecular Weight: 174.111540 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: HUMYNECKRWOZGW-UHFFFAOYSA-N

• Isopilosine
IUPAC Name: (3S,4R)-3-[(R)-hydroxy(phenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one | CAS Registry Number: 491-88-3
Synonyms: Imidazole alkaloid;Carpiline, AIDS002660, AIDS-002660, NSC77211, EINECS 207-745-2, NSC 77211, (3S-(3alpha(S*),4beta))-Dihydro-3-(alpha-hydroxybenzyl)-4-((1-methyl-1H-imidazol-5-yl)methyl)furan-2(3H)-one, 2(3H)-Furanone, dihydro-3-[(R)-(hydroxyphenylmethyl)-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S,4R)

Molecular Formula: C16H18N2O3Molecular Weight: 286.325720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: DZOVBAVEJYPSLL-QEJZJMRPSA-N

• Isopropyl 3-Aminocrotonate
IUPAC Name: propan-2-yl (Z)-3-aminobut-2-enoate | CAS Registry Number: 14205-46-0
Synonyms: Isopropyl 3-aminocrotonate, Isopropyl 3-aminobut-2-enoate, AC1Q1QE5, Jsp002477, MolPort-001-836-895, ACT02991, ALBB-015315, isopropyl (2Z)-3-aminobut-2-enoate, AKOS005174926, beta-Aminocrotonic acid isopropyl ester, RP20832, propan-2-yl (2Z)-3-aminobut-2-enoate, AK-59353, BR-59353, KB-52813, LS-47088, P785, FT-0637031, I05-0014

Molecular Formula: C7H13NO2Molecular Weight: 143.183620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YCKAGGHNUHZKCL-XQRVVYSFSA-N

• Isopropyl diethyl malonate
IUPAC Name: diethyl 2-ethyl-2-methylpropanedioate | CAS Registry Number: 2049-70-9
Synonyms: DIETHYL ISOPROPYLMALONATE, Diethyl 2-ethyl-2-methylmalonate, DIETHYL ETHYLMETHYLMALONATE, EINECS 218-070-8, Propanedioic acid, ethylmethyl-, diethyl ester

Molecular Formula: C10H18O4Molecular Weight: 202.247520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ODRGILDUWDVBJX-UHFFFAOYSA-N

• Isosorbide dinitrate
IUPAC Name: [(3S,3aS,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] nitrate | CAS Registry Number: 87-33-2
Synonyms: Sorbidnitrate, Sorbide nitrate, Dinitrosorbide, Isordil, Corosorbide, Nitrosorbid, Nitrosorbide, Nitrosorbon, Claodical, Sorbangil, Sorbidilat, Sorbitrate, Vascardin, Vasodilat, Vasorbate, Carvanil, Carvasin, Cedocard, Cornilat, Difutrat

Molecular Formula: C6H8N2O8Molecular Weight: 236.136320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: MOYKHGMNXAOIAT-JGWLITMVSA-N

• Isosorbide Mononitrate
IUPAC Name: [(3R,3aS,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] nitrate | CAS Registry Number: 16051-77-7
Synonyms: Monosorbitrate, Imdur, vasotrate, Monosordil, Corangin, Epicordin, Etimonis, Isomonat, Isomonit, Monoclair, Monolong, Monopront, Monotrate, Multitab, Nitramin, Olicardin, Orasorbil, Percorina, Promocard, Sigacora

Molecular Formula: C6H9NO6Molecular Weight: 191.138760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YWXYYJSYQOXTPL-SLPGGIOYSA-N

• Isotetrandrine
Synonyms: Isotetandrine, (+)-Isotetrandrine, 1-ISOTETRANDRINE, NSC97338, NCI60_042171, Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-

Molecular Formula: C38H42N2O6Molecular Weight: 622.749880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: WVTKBKWTSCPRNU-IHLOFXLRSA-N

• Isoxepac
IUPAC Name: 2-(11-oxo-6H-benzo[c][2]benzoxepin-2-yl)acetic acid | CAS Registry Number: 55453-87-7
Synonyms: Arelix, Artil, Artil (TN), Isoxepacum [INN-Latin], Isoxepac (USAN/INN), Isoxepac [USAN:BAN:INN], HP 549, NSC300907, AIDS128843, NSC 300907, AIDS-128843, C16H12O4, BRN 1320243, HP-549, LS-61593, P 720549, HP-720549, TL8003618, P-549, D04638

Molecular Formula: C16H12O4Molecular Weight: 268.264080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QFGMXJOBTNZHEL-UHFFFAOYSA-N


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