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Hotechem Shanghai Co., Ltd.

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Profile: Hotechem Shanghai Co., Ltd. provides active pharmaceutical ingredients (APIs), amino acids and peptides. Our thiopene compounds are 5-acetylthiophene-2-carboxylic acid, prasugrel, 3-bromocinnoline, 1-benzothien-4-ylamine, 4-bromo-5-nitro-2-thiophenecarboxaldehyde and 2-amino-1-(thiophen-2-yl)ethanone hydrochloride. Our pyridine compounds include 4-(boc-amino)-3-iodopyridine, 3-iodo-4-aminopyridine, 2-amino-5-bromopyridine, 5-chloro-2-iodopyrimidine and 2,6-dichloropyridin-3-amine.

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• Abacavir
IUPAC Name: [(4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopenten-1-yl]methanol;sulfuric acid | CAS Registry Number: 136777-48-5
Synonyms: AKOS015962201, FT-0606626

Molecular Formula: C28H38N12O6SMolecular Weight: 670.743120 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 16

InChIKey: ONBGCFRRXHDVAP-RCWTXCDDSA-N

• Acetic Acid, 2-[2-[2-(1,3-Dihydro-1,3-Dioxo-2h-Isoindol-2-Yl)ethoxy]ethoxy]-
IUPAC Name: 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid | CAS Registry Number: 75001-09-1
Synonyms: SureCN3727741, AGN-PC-003NY7, CTK9A3865, FD7374, KB-166493, 2-[2-(2-phthalimidoethoxy)ethoxy]acetic acid, 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid, ACETIC ACID, 2-[2-[2-(1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)ETHOXY]ETHOXY]-

Molecular Formula: C14H15NO6Molecular Weight: 293.272000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: AGGILFWPOHHPKV-UHFFFAOYSA-N

• Acetic Acid, 2-[4-(chlorosulfonyl)phenoxy]-, Methyl Ester
IUPAC Name: methyl 2-(4-chlorosulfonylphenoxy)acetate | CAS Registry Number: 56077-78-2
Synonyms: methyl [4-(chlorosulfonyl)phenoxy]acetate, METHYL 2-[4-(CHLOROSULFONYL)PHENOXY]ACETATE, Methyl 2-(4-(chlorosulfonyl)phenoxy)acetate, AC1Q448I, CTK5A4614, MolPort-016-633-616, FD7132, AKOS016008796, AG-C-11959, AG-F-96655, AK110890, KB-202711, EN300-41183, METHYL 2-(4-(CHLOROSULFONYL)PHENOXY) ACETATE, Acetic acid,2-[4-(chlorosulfonyl)phenoxy]-, methyl ester, Aceticacid, [4-(chlorosulfonyl)phenoxy]-, methyl ester (9CI);Acetic acid,[p-(chlorosulfonyl)phenoxy]-, methyl ester (6CI);(4-Chlorosulfonylphenoxy)acetic acid methyl ester;Methyl(4-chlorosulfonylphenoxy)acetate;Methyl 2-[4-(chlorosulfonyl)phenoxy]acetate;

Molecular Formula: C9H9ClO5SMolecular Weight: 264.682760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ISHZBFTYSQSGBF-UHFFFAOYSA-N

• Atovaquone
IUPAC Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione | CAS Registry Number: 95233-18-4
Synonyms: ATOVAQUONE, Mepron, Atavaquone, Malarone, Wellvone, Acuvel, Mixture Name, Malarone Pediatric, Compound 566, Mepron (TN), Spectrum_001743, SpecPlus_000686, Atovaquone (USP/INN), Mepron (antipneumocystic), Prestwick0_000534, Prestwick1_000534, Prestwick2_000534, Prestwick3_000534, Spectrum2_001665, Spectrum3_000991

Molecular Formula: C22H19ClO3Molecular Weight: 366.837460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BSJMWHQBCZFXBR-UHFFFAOYSA-N

• Azelnidipine
IUPAC Name: 3-O-[1-[di(phenyl)methyl]azetidin-3-yl] 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 123524-52-7
Synonyms: Calblock, Azelnidipine [INN], Calblock (TN), Azelnidipine (JAN/INN), CS 905, CS-905, C33H34N4O6, CID65948, RS-9054, NCGC00167436-01, LS-131184, D01145, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl) 5-(1-methylethyl) ester, (+-)-, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl)-5-(1-methylethyl) esster, (+-)-, 3,5-Pyridinedicarboxylic acid, 2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl) 5-(1-methylethyl) ester, (+-)-, 3-(1-(Diphenylmethyl)-3-azetidinyl) 5-isopropyl (+-)-2-amino-1,4-dihydro-6-methyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate, 3-[1-(diphenylmethyl)azetidin-3-yl] 5-(1-methylethyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-,3-(1-(diphenylmethyl)-3-azetidinyl)-5-(1-methylethyl) esster, (+-)-, 3-(1-diphenylmethylazetidin-3-yl)-5-isopropyl-2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Molecular Formula: C33H34N4O6Molecular Weight: 582.646260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: ZKFQEACEUNWPMT-UHFFFAOYSA-N

• Aztreonam
IUPAC Name: 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid | CAS Registry Number: 78110-38-0
Synonyms: aztreonam, Azactam, Primbactam, Prestwick_914, Prestwick2_000185, Prestwick3_000185, BSPBio_000109, NSC646279, BPBio1_000121, AIDS013397, AIDS-013397, CID5742832, NCGC00179656-01, SQ-26776, [2S-[2alpha,3beta(Z)]]-2-[[[1-(2-Amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methylpropanoic acid, 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid

Molecular Formula: C13H17N5O8S2Molecular Weight: 435.432780 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 11

InChIKey: WZPBZJONDBGPKJ-VEHQQRBSSA-N

• Carbamic acid, (4-chlorobutyl)-, 1,1-dimethylethyl ester
IUPAC Name: tert-butyl N-(4-chlorobutyl)carbamate | CAS Registry Number: 95388-79-7
Synonyms: tert-Butyl (4-chlorobutyl)carbamate, TERT-BUTYL 4-CHLOROBUTYLCARBAMATE, CTK5H7695, MolPort-004-785-139, ANW-65715, FD7383, AKOS016005453, AG-H-92688, AK-89368, KB-260105

Molecular Formula: C9H18ClNO2Molecular Weight: 207.697720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BEKDZRXUWYOOPU-UHFFFAOYSA-N

• Carbamic acid, N-(aminosulfonyl)-, 1,1-dimethylethyl ester
IUPAC Name: tert-butyl N-sulfamoylcarbamate | CAS Registry Number: 148017-28-1
Synonyms: tert-Butyl sulfamoylcarbamate, N-(tert-Butoxycarbonyl)sulfamide, SBB054141, ACMC-1BWQ6, CAR025, tert-Butyl Aminosulfonylcarbamate, CTK0H3893, MolPort-004-784-738, (tert-butoxy)-N-sulfamoylcarboxamide, ANW-65606, AKOS006316084, AG-C-19075, QC-3183, AK-90083, KB-56160, FT-0081984, I14-11673, Carbamicacid, (aminosulfonyl)-, 1,1-dimethylethyl ester (9CI);, N-(Aminosulfonyl)carbamic acid 1,1-dimethylethyl ester;N-(tert-Butoxycarbonyl)sulfamide

Molecular Formula: C5H12N2O4SMolecular Weight: 196.224780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: WPCQASPMIALUEE-UHFFFAOYSA-N

• Cephathiamidinum
IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 51627-14-6
Synonyms: CEFATRIZINE, Cefatrizine (USAN), D02406, (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, CFT

Molecular Formula: C18H18N6O5S2Molecular Weight: 462.502720 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: UOCJDOLVGGIYIQ-PBFPGSCMSA-N

• Chloromethyl tert-butyl succinate
IUPAC Name: 4-O-tert-butyl 1-O-(chloromethyl) butanedioate | CAS Registry Number: 432037-43-9
Synonyms: tert-Butyl (chloromethyl) succinate, tert-butyl chloromethyl succinate, BUT019, CTK6H8683, ANW-64769, FC0593, FD7113, AKOS016005154, AG-B-52552, CHLOROMETHYL TERT-BUTYL SUCCINATE, AK103467, Butanedioic acid, chloromethyl 1,1-dimethylethyl ester

Molecular Formula: C9H15ClO4Molecular Weight: 222.666000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZEHMWPBRDVLBMH-UHFFFAOYSA-N

• Cyclooctylamine
IUPAC Name: cyclooctanamine | CAS Registry Number: 5452-37-9
Synonyms: Cyclooctanamine, Aminocyclooctane, C110604_ALDRICH, AIDS124298, CYCLOOCTYLAMINE HYDROCHLORIDE, AIDS-124298, NSC18965, NSC20985, EINECS 226-694-7, NSC 18965, NSC 20985, SBB004245, InChI=1/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H, 6332-60-1, CoA

Molecular Formula: C8H17NMolecular Weight: 127.227280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HSOHBWMXECKEKV-UHFFFAOYSA-N

• D-Mannitol Diacetonide
IUPAC Name: (1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol | CAS Registry Number: 1707-77-3
Synonyms: D-Mannitol diacetonide, Diisopropylidene mannitol, 296406_ALDRICH, 38410_FLUKA, CID96011, EINECS 216-954-8, ZINC04521410, 1,2:5,6-Di-O-isopropylidene-D-mannitol, ST5408125, 1,2-5,6-DI-0-ISOPROPYLIDENE-D-MANNITOL

Molecular Formula: C12H22O6Molecular Weight: 262.299480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ODYBCPSCYHAGHA-ZYUZMQFOSA-N

• D-Serine
IUPAC Name: (2R)-2-amino-3-hydroxypropanoic acid | CAS Registry Number: 312-84-5
Synonyms: D-serine, serine, Serine D-form, L-serine, DL-Serine, D-Serin, L-ser, beta-Hydroxyalanine, 1pb8, nchembio.145-comp14, SERINE (L), Biomol-NT_000197, Lopac0_001088, S4250_SIGMA, BPBio1_001226, CHEBI:16523, EINECS 206-229-4, NSC 77689, AIDS071644, AIDS-071644

Molecular Formula: C3H7NO3Molecular Weight: 105.092580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: MTCFGRXMJLQNBG-UWTATZPHSA-N

• D-Valine
IUPAC Name: (2R)-2-amino-3-methylbutanoic acid | CAS Registry Number: 640-68-6
Synonyms: valine, (R)-Valine, D-valin, DL-Valine, POLY-L-VALINE, V1255_SIGMA, (R)-alpha-Aminoisovaleric acid, 855987_ALDRICH, (R)-2-Amino-3-methylbutyric acid, 94630_FLUKA, CHEBI:27477, EINECS 211-368-9, D-2-Amino-3-methylbutanoic acid, NSC 20654, SBB006709, (2R)-2-amino-3-methylbutanoic acid, NCGC00159470-02, LS-161287, C06417, InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8

Molecular Formula: C5H11NO2Molecular Weight: 117.146340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KZSNJWFQEVHDMF-SCSAIBSYSA-N

• Di-tert-butyl-iminodicarboxylate
IUPAC Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate | CAS Registry Number: 51779-32-9
Synonyms: N-Boc-tert-butylcarbamate, tert-Butyl iminodicarboxylate, 375276_ALDRICH, 34716_FLUKA, NSC131088, ZINC01717885, ST5307556, N-tert-butoxycarbonyl-carbamic acid tert-butyl ester

Molecular Formula: C10H19NO4Molecular Weight: 217.262160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XCAQIUOFDMREBA-UHFFFAOYSA-N

• Diethyl 1,1-cyclopropanedicarboxylate
IUPAC Name: diethyl cyclopropane-1,1-dicarboxylate | CAS Registry Number: 1559-02-0
Synonyms: Diethyl cyclopropane-1,1-dicarboxylate, 147710_ALDRICH, NSC21376, EINECS 216-321-6, ZINC00162383, 1,1-Cyclopropanedicarboxylic acid, diethyl ester, AI3-05554, ST5406551

Molecular Formula: C9H14O4Molecular Weight: 186.205060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KYYUCZOHNYSLFV-UHFFFAOYSA-N

• Dl-Valine
IUPAC Name: 2-amino-3-methylbutanoic acid | CAS Registry Number: 516-06-3
Synonyms: valine, DL-Valine, L-valine, valin, valina, D-Valine, Hval, Valine, DL-, (R)-Valine, Valine, D-, D,L-VALINE, VALINE, L-, 2-Amino-3-methylbutanoic acid, VALINE, (L), WLN: QVYZY1&1, 2-Aminoisovaleric acid, DL-, ()-alpha-Aminoisovaleric acid, 2-Amino-3-methylbutyric acid, V0375_SIGMA, W344400_ALDRICH

Molecular Formula: C5H11NO2Molecular Weight: 117.146340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KZSNJWFQEVHDMF-UHFFFAOYSA-N

• Eptaplatin
IUPAC Name: [(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine; platinum(2+); propanedioate | CAS Registry Number: 146665-77-2
Synonyms: Eptaplatin [USAN:INN], Ski 2053R, NSC D644591, LS-117773, cis-Malonato((4R,5R)-4,5-bis(aminomethyl)-2-isopropyl-1,3-dioxolane)platinum(II), Platinum, ((4R,5R)-2-(1-methylethyl)-1,3-dioxolane-4,5-dimethanamine-kappaN4,kappaN5)(propanedioato(2-)-kappaO1,kappaO3)-, (SP-4-2)-, Platinum, (2-(1-methylethyl)-1,3-dioxolane-4,5-dimethanamine-N,N')(propanedioato(2-)-O,O')-, (SP-4-2-(4R-(2-alpha,4-alpha,5-beta)))-, cis-((4R,5R)-2-Isopropyl-1,3-dioxolane-4,5-bis(methylamine)-N,N')(malonato(2-)-O,O')platinum

Molecular Formula: C11H20N2O6PtMolecular Weight: 471.364300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: XJXKGUZINMNEDK-GPJOBVNKSA-L

• Escitalopram Oxalate
IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; oxalic acid | CAS Registry Number: 219861-08-2
Synonyms: Lexapro, Escitalopram oxalate, Cipralex, Seroplex, Esertia, Gaudium, Entact, Lexapro (TN), Escitalopram oxalate [USAN], Escitalopram oxalate (USAN), MLS001401408, SPECTRUM1505216, (+)-(S)-Citalopram oxalate, MLD-55, Lu 26-054-0, NCGC00095903-01, CPD000469191, Lu-26-054-0, SAM001246668, SMR000469191

Molecular Formula: C22H23FN2O5Molecular Weight: 414.426823 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: KTGRHKOEFSJQNS-BDQAORGHSA-N

• Ethanone,2-bromo-1-pyrazinyl-
IUPAC Name: 2-bromo-1-pyrazin-2-ylethanone | CAS Registry Number: 132426-19-8
Synonyms: 2-Bromo-1-pyrazin-2-yl-ethanone, 2-bromo-1-pyrazin-2-ylethanone, Ethanone, 2-bromo-1-pyrazinyl-, 2-bromo-1-(pyrazin-2-yl)ethanone, 2-Bromo-1-pyrazinylethanone, PubChem21375, 2-(Bromoacetyl)pyrazine, 2-(2-Bromoacetyl)pyrazine, ETH022, CTK8C0104, MolPort-003-986-376, 2-Bromo-1-(2-pyrazinyl) Ethanone, ANW-64104, FD7249, SBB069054, WTI-11634, ZINC02546217, AKOS015914892, AG-D-65912, Ethanone, 2-bromo-1-(2-pyrazinyl)-

Molecular Formula: C6H5BrN2OMolecular Weight: 201.020700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UJIRAGIEBOAGOA-UHFFFAOYSA-N

• Ethyl 1-((pyridin-4-Yl)methyl
IUPAC Name: ethyl 1-(pyridin-4-ylmethyl)piperidine-4-carboxylate | CAS Registry Number: 138030-54-3
Synonyms: 4-Piperidinecarboxylicacid, 1-(4-pyridinylmethyl)-, ethyl ester, ACMC-20mx2x, SureCN12204641, CTK4C1069, MolPort-003-823-760, RW2381, SBB100454, AKOS009073995, AG-D-77058, KB-161270, KB-251790, FT-0654408, ST51054994, ethyl 1-(4-pyridylmethyl)piperidine-4-carboxylate, I14-3739, I14-36561, ethyl 1-((pyridin-4-yl)methyl)piperidine-4-carboxylate, 1-pyridin-4-ylmethylpiperidine-4-carboxylic acid ethyl ester, 1-Pyridin-4-ylmethylpiperidine-4-carboxylic acid ethyl. ester, 1-Pyridin-4-ylmethyl-piperidine-4-carboxylic acid ethyl ester;1-(4-Pyridinylmethyl)-4-piperidinecarboxylic acid ethyl ester;

Molecular Formula: C14H20N2O2Molecular Weight: 248.320800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LSUOSTHKSMZNTN-UHFFFAOYSA-N

• Ethyl 4-oxocyclohexanecarboxylate
IUPAC Name: ethyl 4-oxocyclohexane-1-carboxylate | CAS Registry Number: 17159-79-4
Synonyms: 320625_ALDRICH, 4-(Ethoxycarbonyl)cyclohexanone, Ethyl cyclohexanone-4-carboxylate, CID317638, NSC250674, ZINC00388458, ST5407155, 4-OXOCYCLOHEXANECARBOXYLIC ACID, ETHYL ESTER, InChI=1/C9H14O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7H,2-6H2,1H

Molecular Formula: C9H14O3Molecular Weight: 170.205660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZXYAWONOWHSQRU-UHFFFAOYSA-N

• Gefarnate
IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate | CAS Registry Number: 51-77-4
Synonyms: gefarnate, Gefarnil, Gefarnyl, Gepharnate, Ulco, Geranyl farnesylacetate, GEFAMATE, Gefarnatum [INN-Latin], Gefarnato [INN-Spanish], Gefarnate [BAN:INN:JAN], Gefarnate [INN:BAN:JAN], EINECS 200-121-0, DA-688, AIDS001614, AIDS-001614, C27H44O2, LS-148920, (E,E,E)-5,9,13-Trimethyl-4,8,12-tetradecatrienoic acid 3,7-dimethyl-2,6-octadienyl ester, trans-3,7-Dimethyl-2,6-octadienyl 5,9,13-trimethyl-4,8,12-tetradecatrienoate, 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester, (4E,8E)-

Molecular Formula: C27H44O2Molecular Weight: 400.637060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZPACYDRSPFRDHO-ROBAGEODSA-N

• Isonipecotic Acid Ethyl Ester
IUPAC Name: ethyl piperidine-4-carboxylate | CAS Registry Number: 1126-09-6
Synonyms: Ethyl isonipecotate, Ethyl 4-piperidinecarboxylate, Ethyl piperidine-4-carboxylate, Oprea1_864652, E33505_ALDRICH, CID70770, NSC93792, EINECS 214-416-7, SBB004006, SDCCGMLS-0066232.P001, FS000817, TL8000364

Molecular Formula: C8H15NO2Molecular Weight: 157.210200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RUJPPJYDHHAEEK-UHFFFAOYSA-N

• L-Alanyl-L-Glutamine
IUPAC Name: (2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid | CAS Registry Number: 39537-23-0
Synonyms: alanylglutamine, Ala-gln, Alanyl-glutamine, Glutamine-S, l-Alanyl-l-glutamine, L-Glutamine, N2-L-alanyl-, N(2)-L-Alanyl-L-glutamine, A0550_SIGMA, A8185_SIGMA, G8541_SIGMA, CID123935, TL8002855

Molecular Formula: C8H15N3O4Molecular Weight: 217.222400 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: HJCMDXDYPOUFDY-WHFBIAKZSA-N

• Levocetirizine Dihcl
IUPAC Name: 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride | CAS Registry Number: 130018-87-0
Synonyms: Levocetirizine dihydrochloride, Levocetirizine 2HCl, Xusal, Xyzal, UNII-SOD6A38AGA, (R)-Cetirizine dihydrochloride, Xyzall, Levocetirizine dihydrochloride [USAN], Levocetirizine HCl, (2-(4-((R)-(4-Chlorophenyl)phenylmethyl)piperazin-1-yl)ethoxy)acetic acid dihydrochloride, CHEMBL1201190, Acetic acid, (2-(4-((R)-(4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-, dihydrochloride, MolPort-003-983-419, AC-549, KS-1177, LS-186529, D08118, Xyzal (TN), SOD6A38AGA, SureCN144375

Molecular Formula: C21H27Cl3N2O3Molecular Weight: 461.809680 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: PGLIUCLTXOYQMV-GHVWMZMZSA-N

• Medetomidine Hydrochloride
IUPAC Name: 5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride | CAS Registry Number: 86347-15-1
Synonyms: Medetomidine hydrochloride, MPV 785, CHEBI:48556, Medetomidine hydrochloride (USAN), Medetomidine hydrochloride [USAN], D04883, (+-)-4-(alpha,2,3-Trimethylbenzyl)imidazole monohydrochloride, 4-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride, 1H-Imidazole, 4-(1-(2,3-dimethylphenyl)ethyl)-, monohydrochloride, (+-)-, 86347-14-0

Molecular Formula: C13H17ClN2Molecular Weight: 236.740480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VPNGEIHDPSLNMU-UHFFFAOYSA-N

• Methanone, 1-Pyrrolidinyl(4,5,6,7-Tetrahydro-1h-Benzimidazol-6-Yl)-, Hydrochloride
IUPAC Name: pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride | CAS Registry Number: 132036-42-1
Synonyms: 1-PYRROLIDINYL(4,5,6,7-TETRAHYDRO-1H-BENZIMIDAZOL-6-YL)METHANONE HYDROCHLORIDE, SureCN9051125, SureCN9052953, FD7376, KB-161483, (4,5,6,7-TETRAHYDRO-1H-BENZO[D]IMIDAZOL-5-YL)(PYRROLIDIN-1-YL)METHANONE HCL

Molecular Formula: C12H18ClN3OMolecular Weight: 255.743820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VIQQUDRWPRGFBZ-UHFFFAOYSA-N

• Methyl 2-bromomethylbenzoate
IUPAC Name: methyl 2-(bromomethyl)benzoate | CAS Registry Number: 2417-73-4
Synonyms: Ambap4153, ZINC02580764, CID2734813, TL8001990

Molecular Formula: C9H9BrO2Molecular Weight: 229.070560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QKASDIPENBEWBU-UHFFFAOYSA-N

• Methyl 4-fluorobenzoate
IUPAC Name: methyl 4-fluorobenzoate | CAS Registry Number: 403-33-8
Synonyms: Methyl p-fluorobenzoate, Ambap3246, Benzoic acid, 4-fluoro-, methyl ester, 120707_ALDRICH, EINECS 206-956-7, NSC102770, ZINC00388132, Benzoic acid, p-fluoro-, methyl ester, TL8002934, InChI=1/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H

Molecular Formula: C8H7FO2Molecular Weight: 154.138383 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MSEBQGULDWDIRW-UHFFFAOYSA-N

• Methyl 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoate
IUPAC Name: methyl 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylate | CAS Registry Number: 106685-41-0
Synonyms: Methyl 6-(3-(adamantan-1-yl)-4-methoxyphenyl)-2-naphthoate, Mehtyl 6-[3-(1-adamanty)-4-methoxy phenyl]-2-naphthoate, Adapalene Methyl Ester, SureCN641921, CTK8B4360, MolPort-005-938-305, ANW-44837, FD7378, Methyl 6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylate, ZINC21992379, AKOS015851510, AKOS015895357, AC-3392, AK-88807, S356, KB-203086, FT-0642627, ST51052832, A801484, I06-0730

Molecular Formula: C29H30O3Molecular Weight: 426.546700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PGXNMQBGOVUZNC-UHFFFAOYSA-N

• methylguanidine hydrochloride
IUPAC Name: 2-methylguanidine hydrochloride | CAS Registry Number: 22661-87-6
Synonyms: Methylguanidine hydrochloride, 1-Methylguanidine hydrochloride, 222402_ALDRICH, Guanidine, methyl-, hydrochloride, EINECS 245-147-3, AI3-51270, TL8001804

Molecular Formula: C2H8ClN3Molecular Weight: 109.558020 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: VJQCNCOGZPSOQZ-UHFFFAOYSA-N

• N(alpha),N(epsilon)-di-Z-L-lysine
IUPAC Name: 2,6-bis(phenylmethoxycarbonylamino)hexanoic acid | CAS Registry Number: 405-39-0
Synonyms: Z-DL-Lys(Z)-OH, Nalpha,Nepsilon-Di-Z-DL-lysine, 96837_FLUKA, N2,N6-Dibenzyloxycarbonyl-L-lysine, NSC88474, EINECS 206-971-9, DL-Lysine, N2,N6-bis[(phenylmethoxy)carbonyl]-

Molecular Formula: C22H26N2O6Molecular Weight: 414.451640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: BLZXFNUZFTZCFD-UHFFFAOYSA-N

• N-(4-Methoxybenzyl)-N-methylamine
IUPAC Name: 1-(4-methoxyphenyl)-N-methylmethanamine | CAS Registry Number: 702-24-9
Synonyms: Benzylamine der, N-Methyl-p-methoxybenzylamine, AIDS107189, AIDS-107189, Benzenemethanamine, 4-methoxy-N-methyl-, 876-32-4 (HYDROCHLORIDE), MO 00889

Molecular Formula: C9H13NOMolecular Weight: 151.205620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AIJFPNKGGAPZFJ-UHFFFAOYSA-N

• N-Boc-1,3-diaminopropane
IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]propylazanium | CAS Registry Number: 75178-96-0
Synonyms: ZINC02557991, CID7019266

Molecular Formula: C8H19N2O2+Molecular Weight: 175.248660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: POHWAQLZBIMPRN-UHFFFAOYSA-O

• N-Boc-4-Carbethoxy Piperidine
IUPAC Name: 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate | CAS Registry Number: 142851-03-4
Synonyms: Ethyl N-Boc-piperidine-4-carboxylate, 1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate, Dimethylethyl piperidinedicarboxylic acid ethyl ester, ethyl 1-boc-piperidine-4-carboxylate, SBB054002, 1-Boc-piperidine-4-carboxylicacidethylester, 1-(tert-butyl) 4-ethyl tetrahydro-1,4(2h)-pyridinedicarboxylate, 1-boc-piperidine-4-carboxylic acid ethyl ester, Ethyl 1-tert-Butoxycarbonylpiperidine-4-carboxylate, Piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester, ethyl 1-[(tert-butyl)oxycarbonyl]piperidine-4-carboxylate, ZINC00153435, AC1MBYZW, PubChem11350, PubChem11465, ethyl n-boc-isonipecotate, ACMC-209cp6, SureCN337418, 1-boc-4-carbethoxypiperidine, KSC174E9F

Molecular Formula: C13H23NO4Molecular Weight: 257.326020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MYHJCTUTPIKNAT-UHFFFAOYSA-N

• N-Boc-4-piperidinemethanol
IUPAC Name: tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate | CAS Registry Number: 123855-51-6
Synonyms: 556017_ALDRICH, ARK068, ARONIS012193, ZINC00169576, CID2764081, N-tert-Butyloxycarbonyl-4-piperidinemethanol, TL8000633, 5X-0704, tert-Butyl 4-(hydroxymethyl)-1-piperidinecarboxylate

Molecular Formula: C11H21NO3Molecular Weight: 215.289340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CTEDVGRUGMPBHE-UHFFFAOYSA-N

• N-Boc-cis-4-Hydroxy-L-Proline Methyl ester
IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate | CAS Registry Number: 102195-79-9
Synonyms: N-Boc-cis-4-hydroxy-L-proline methyl ester, Boc-cis-Hyp-Ome, cis-Boc-Hyp-OMe, (2S,4S)-1-tert-butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate, N-Boc-cis-4-Hydroxy-L-prolinemethylester, Boc-cis-4-Hydroxy-L-proline methyl ester, METHYL CIS-1-BOC-4-HYDROXY-L-PROLINATE, N-(tert-Butoxycarbonyl)-cis-4-hydroxy-L-proline Methyl Ester, (2S,4S)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester, 1,2-PYRROLIDINEDICARBOXYLIC ACID, 4-HYDROXY-, 1-(1,1-DIMETHYLETHYL) 2-METHYL ESTER, (2S,4S)-, Boc-trans-4-Hydroxy-L-proline methyl ester, ZINC00403526, PubChem21950, SureCN85695, BOC-CIS-L-HYP-OME, BOC-L-CIS-HYP-OME, KSC496S3F, 654000_ALDRICH, CTK3J6932, MolPort-004-969-098

Molecular Formula: C11H19NO5Molecular Weight: 245.272260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MZMNEDXVUJLQAF-YUMQZZPRSA-N

• N-Boc-trans-4-Hydroxy-L-Proline Methylester
IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate | CAS Registry Number: 74844-91-0
Synonyms: 639737_ALDRICH, ZINC00403528, TL8006653, N-Boc-trans-4-hydroxy-L-proline methyl ester, N-BOC-trans-4-hydroxyl-L-proline methyl ester

Molecular Formula: C11H19NO5Molecular Weight: 245.272260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MZMNEDXVUJLQAF-SFYZADRCSA-N

• N-Methyl-4-Methylbenzylamine
IUPAC Name: methyl-[(4-methylphenyl)methyl]azanium | CAS Registry Number: 699-04-7
Synonyms: ZINC02527532, CID7016516

Molecular Formula: C9H14N+Molecular Weight: 136.214160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: YDFFIGRIWDSNOZ-UHFFFAOYSA-O

• N-Phenylpiperazine
IUPAC Name: 1-phenylpiperazin-4-ium | CAS Registry Number: 92-54-6
Synonyms: ZINC00120271, CID3732046

Molecular Formula: C10H15N2+Molecular Weight: 163.239500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YZTJYBJCZXZGCT-UHFFFAOYSA-O

• N4-(3-Bromophenyl)quinazoline-4,6-diamine
IUPAC Name: 4-N-(3-bromophenyl)quinazoline-4,6-diamine | CAS Registry Number: 169205-78-1
Synonyms: 4-N-(3-bromophenyl)quinazoline-4,6-diamine, nchembio866-comp32, AC1NS3N2, SureCN1417740, CHEMBL52765, 4-Anilinoquinazoline deriv. 45, CTK4D3225, MolPort-009-198-483, ANW-50332, DNC004883, AKOS013915836, AG-E-18500, AK-25174, BR-25174, KB-57367, FT-0648433, W3684, 4,6-Quinazolinediamine,N4-(3-bromophenyl)-, N*4*-(3-Bromo-phenyl)-quinazoline-4,6-diamine, 4-[3-Bromophenylamino]-6-aminoquinazoline;ZR 01;

Molecular Formula: C14H11BrN4Molecular Weight: 315.167940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IZQHULBHKPGOAP-UHFFFAOYSA-N

• Pantoprazole Sodium
IUPAC Name: sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide | CAS Registry Number: 138786-67-1
Synonyms: Pantoloc, Protonix, pantoprazole, Anagastra, Controloc, Pantecta, Pantopan, Pantozol, Peptazol, Ulcotenal, Inipomp, Pantorc, Protium, Zurcal, Apton, Rifun, Pantozol Control, Protonix IV, Protonix I.V, Ambap2569

Molecular Formula: C16H14F2N3NaO4SMolecular Weight: 405.351636 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: YNWDKZIIWCEDEE-UHFFFAOYSA-N

• Propanamide, 2-(2,6-dichlorophenoxy)-
IUPAC Name: 2-(2,6-dichlorophenoxy)propanamide | CAS Registry Number: 344411-67-2
Synonyms: 2-(2,6-DICHLOROPHENOXY)PROPANAMIDE, AGN-PC-00LAUD, SureCN400373, PRO024, CTK4H2411, FD7351, AG-F-17762, Propanamide,2-(2,6-dichlorophenoxy)-, AK140530, KB-162269, Propanamide, 2-(2,6-dichlorophenoxy)-, (+)-, 2-(2,6-dichlorophenoxy)propanamide;Propanamide,2-(2,6-dichlorophenoxy)-

Molecular Formula: C9H9Cl2NO2Molecular Weight: 234.079260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KVCQWFJJUHDPLB-UHFFFAOYSA-N

• Prulifloxacin
IUPAC Name: (1R)-6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid | CAS Registry Number: 123447-62-1
Synonyms: Sword, PUFX, Sword (TN), Prulifloxacin (JAN/INN), CID443877, TL8000628, D01144

Molecular Formula: C21H20FN3O6SMolecular Weight: 461.463403 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: PWNMXPDKBYZCOO-LLVKDONJSA-N

• Raltitrexed
IUPAC Name: (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid | CAS Registry Number: 112887-68-0
Synonyms: Tomudex, 2kce, 2tsr, Tomudex (TN), ICI D1694, ZD1694, ICI-D1694, MLS001424225, Raltitrexed (JAN/USAN/INN), STOCK6S-47020, C21H22N4O6S, 1i00, AIDS106596, ICI-D-1694, AIDS-106596, ZD 1694, ZD-1694, ZN-D1694, CID104758, NSC639186

Molecular Formula: C21H22N4O6SMolecular Weight: 458.487580 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: IVTVGDXNLFLDRM-HNNXBMFYSA-N

• Ramosetron HCL
IUPAC Name: (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone hydrochloride | CAS Registry Number: 132907-72-3
Synonyms: Nasea, Ramosetron.HCl, Irribow, Ramosetron hydrochloride, Nasea OD, Nasea (TN), CCRIS 7704, C17H17N3O.HCl, YM 060, Ramosetron hydrochloride (JAN), YM060, YM-060, CID107999, LS-91305, TL8000781, D02016, (R)-5-((1-Methyl-3-indolyl)carbonyl)-4,5,6,7-tetrahydro-1H-benzimidazole hydrochloride, (1-methyl-1H-indol-3-yl)[(5R)-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methanone hydrochloride, 5-((1-methyl-3-indolyl)carbonyl)-4,5,6,7-tetrahydro-1H-benzimidazol, Methanone, (1-methyl-1H-indol-3-yl)((5R)-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)-, monohydrochloride

Molecular Formula: C17H18ClN3OMolecular Weight: 315.797320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XIXYTCLDXQRHJO-RFVHGSKJSA-N

• Rupatadine Fumarate
Synonyms: Rupatadine, Rupatadine (INN), CID133017, D07407, 5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(1-((5-methyl-3-pyridinyl)methyl)-4-piperidinylidene)-, 8-Chloro-6,11-dihydro-11-(1-((5-methyl-3-pyridyl)methyl)-4-piperidylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine

Molecular Formula: C26H26ClN3Molecular Weight: 415.957740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WUZYKBABMWJHDL-UHFFFAOYSA-N

• Simendan;((4-(1,4,5,6-Tetrahydro-4-Methyl-6-Oxo-3-Pyridazinyl)phenyl)hydrazono)propanedinitrile; 2-((4-(4-Methyl-6-Oxo-4,5-Dihydro-1h-Pyridazin-3-Yl)phenyl)hydrazinylidene)propanedinitrile
IUPAC Name: 2-[[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile | CAS Registry Number: 131741-08-7
Synonyms: Simendan, dextrosimendan, Simendan [INN], LEVOSIMENDAN, C14H12N6O, CHEBI:240651, CID60867, OR 1259, OR-1259, OR-1855, LS-172805, I06-0210, I14-2813, Mesoxalonitrile (+-)-(p-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazone, Propanedinitrile, ((4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)-, ((4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile, 2-{[4-(4-Methyl-6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-phenyl]-hydrazono}-malononitrile

Molecular Formula: C14H12N6OMolecular Weight: 280.284680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: WHXMKTBCFHIYNQ-UHFFFAOYSA-N

• Tert-Butyl 4-(2-Propynylamino)benzoate
IUPAC Name: tert-butyl 4-(prop-2-ynylamino)benzoate | CAS Registry Number: 112888-76-3
Synonyms: Tert-butyl 4-(prop-2-ynylamino)benzoate, TERT-BUTYL 4-(2-PROPYNYLAMINO)BENZOATE, ACMC-20mh4g, CTK0H3716, FD7135, AKOS015912299, AG-D-32367, AK141797, KB-80931, tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate, I14-36542, Benzoicacid, 4-(2-propynylamino)-, 1,1-dimethylethyl ester (9CI);4-(2-Propynylamino)benzoic acid 1,1-dimethylethyl ester;

Molecular Formula: C14H17NO2Molecular Weight: 231.290280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WCHCOTTZGIWYPX-UHFFFAOYSA-N


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