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Profile: Zhangjiagan Free Trade Zone Odyssey International Co., Ltd. specializes in producing active pharmaceutical ingredients and intermediates. APIs include indapamide, arbidol hydrochloride, primaquine phosphate and isotretinoin(USP27). Intermediates include 2,3-dimethoxy-5-methyl-1,4-hydroquinone, 2,3-dimethoxy-5-methyl-1,4-benzoquinone, 1-bromo-2,4-dimethoxybenzene, 1,3-dibromo-5-chlorobenzene, 7-bromoindole and indole-6-carboxylic acid.

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• Arbidol
IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate | CAS Registry Number: 131707-25-0
Synonyms: ChemDiv1_000732, Oprea1_384852, Oprea1_482224, MLS000777586, AIDS346666, AIDS-346666, CID131411, STK021887, SMR000413980, TL80090957, A1957/0082320, 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester, 5674-91-9, 6-Bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2-phenylsulfanylmethyl-1H-indole-3-carboxylic acid ethyl ester, 6-Bromo-5-hydroxy-4-methylaminomethyl-1-methyl-2-benzenesulfenylmethylindole-3-ethyl carboxylate, ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

Molecular Formula: C22H25BrN2O3SMolecular Weight: 477.414500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KCFYEAOKVJSACF-UHFFFAOYSA-N

• Arbidol Hydrochloride
IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrate hydrochloride | CAS Registry Number: 131707-23-8
Synonyms: Arbidol, arbidole, C22H25BrN2O3S.HCl.H2O, LS-82546, 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester, moonohydrochloride, 1-methyl-2-((phenylthio)methyl)-3-carbethoxy-4-((dimethylamino)methyl)-5-hydroxy-6-bromindole hydrochloride, 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride, hydrate

Molecular Formula: C22H28BrClN2O4SMolecular Weight: 531.890720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: PLWQHPWNKPKQJT-UHFFFAOYSA-N

• Benzeneacetic acid, 3-ethoxy-4-(ethoxycarbonyl)-
IUPAC Name: 2-(3-ethoxy-4-ethoxycarbonylphenyl)acetic acid | CAS Registry Number: 99469-99-5
Synonyms: 3-Ethoxy-4-ethoxycarbonyl phenylacetic acid, 2-(3-Ethoxy-4-(ethoxycarbonyl)phenyl)acetic acid, AG-I-01773, 4-Ethoxycarbonyl-3-ethoxyphenylacetic acid, 3-Ethoxy-4-(ethoxycarbonyl)phenylacetic acid, 3-ETHOXY-4-(ETHOXYCARBONYL)BENZENEACETIC ACID, (3-Ethoxy-4-(ethoxycarbonyl)phenyl)acetic acid, [3-ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid, PubChem13653, ACMC-209scr, UNII-GG6C71LIOD, SureCN391346, KSC496G2B, Repaglinide related compound B, CTK3J6320, MolPort-001-758-023, ACT00935, ANW-41017, Repaglinide related compound B [USP], AKOS015919544

Molecular Formula: C13H16O5Molecular Weight: 252.263140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: OTGSESBEJUHCES-UHFFFAOYSA-N

• Benzopyrrole
IUPAC Name: 1H-indole | CAS Registry Number: 120-72-9
Synonyms: indole, 1H-Indole, Ketole, Indol, 2,3-Benzopyrrole, 1-Azaindene, 1-Benzazole, 2,3-Benzopyrole, Indole (natural), Indol [German], Benzo[b]pyrrole, 1-Benzo(b)pyrrole, Caswell No. 498B, indole hydrochloride, 1H-Benzo[b]pyrrole, Indole (8CI), indole, 14C-labeled, 1H-Indole (9CI), FEMA No. 2593, CCRIS 4421

Molecular Formula: C8H7NMolecular Weight: 117.147880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N

• Caffeic Acid
IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | CAS Registry Number: 331-39-5
Synonyms: caffeic acid, trans-Caffeate, 3,4-Dihydroxycinnamic acid, trans-caffeic acid, Caffeic acid polymer, Cinnamic acid, 3,4-dihydroxy-, 3,4-Dihydroxy-trans-cinnamate, CCRIS 847, 3,4-Dihydroxybenzeneacrylic acid, 3,4-Dihydroxy-cinnamic acid, HSDB 7088, MLS000069738, MLS001076493, C0625_SIGMA, SPECTRUM1503987, ARONIS023304, C9H8O4, NSC57197, 3-(3,4-Dihydroxyphenyl)propenoic acid, 60018_FLUKA

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N

• Cilostazol
IUPAC Name: 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 73963-72-1
Synonyms: cilostazol, Pletal, Pletaal, Cilostazole, Pletal (TN), Cilostazolum [INN-Latin], Cilostazol [INN:JAN], Tocris-1692, Spectrum2_001118, Spectrum3_001170, Spectrum4_000772, Spectrum5_001762, Lopac-C-0737, OPC 21, Otsuka brand of cilostazol, Lopac0_000218, OPC-13013, BSPBio_002759, KBioGR_001184, Pharmacia brand of cilostazol

Molecular Formula: C20H27N5O2Molecular Weight: 369.460680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: RRGUKTPIGVIEKM-UHFFFAOYSA-N

• Diethyl Fumarate
IUPAC Name: diethyl (E)-but-2-enedioate | CAS Registry Number: 623-91-6
Synonyms: Diethyl fumarate, Anti-Psoriaticum, Ethyl fumarate, Fumaric acid, diethyl ester, DIETHYL MALEATE, diethyl (2E)-but-2-enedioate, D95654_ALDRICH, WLN: 2OV1U1VO2, 2-Butenedioic acid (E)-, diethyl ester, HSDB 5722, Diethyl (2E)-2-butenedioate, NSC20954, 47930_FLUKA, EINECS 210-819-7, NSC 20954, AIDS017710, Diethylester kyseliny fumarove [Czech], trans-2-Butenedioic acid diethyl ester, 2-Butenedioic acid (2E)-, diethyl ester, 2-Butenedioic acid, diethyl ester, (E)-

Molecular Formula: C8H12O4Molecular Weight: 172.178480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IEPRKVQEAMIZSS-AATRIKPKSA-N

• Indapamide
IUPAC Name: 4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide | CAS Registry Number: 26807-65-8
Synonyms: indapamide, Lozol, Indaflex, Natrilix, Pressurai, Tertensif, Bajaten, Indamol, Noranat, Veroxil, Arifon, Cormil, Damide, Fludex, Ipamix, Tandix, Metindamide, Natrix, Indapamide (USP), Natrix (TN)

Molecular Formula: C16H16ClN3O3SMolecular Weight: 365.834540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NDDAHWYSQHTHNT-UHFFFAOYSA-N

• Indole-5-Carboxylic Acid
IUPAC Name: 1H-indole-5-carboxylic acid | CAS Registry Number: 1670-81-1
Synonyms: Indole-5-carboxylic acid, I5400_ALDRICH, 1H-indole-5-carboxylic acid, I2250_SIGMA, 57230_FLUKA, ALBB-006266, EINECS 216-799-6, SBB003951, TL8001286, I-2338, I-2340, InChI=1/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12

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

InChIKey: IENZCGNHSIMFJE-UHFFFAOYSA-N

• Indole-6-carboxylic acid
IUPAC Name: 1H-indole-6-carboxylic acid | CAS Registry Number: 1670-82-2
Synonyms: 6-Indolecarboxylic acid, 1H-Indole-6-carboxylic acid, Maybridge4_003509, Oprea1_870961, MLS000039633, 576662_ALDRICH, ALBB-006287, SBB000134, NCGC00068410-02, SMR000037044, TL8001287, I-2350

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

InChIKey: GHTDODSYDCPOCW-UHFFFAOYSA-N

• Indoline
IUPAC Name: 2,3-dihydro-1H-indole | CAS Registry Number: 496-15-1
Synonyms: Dihydroindole, 1-Azaindan, 2,3-Dihydro-1H-indole, 2,3-DIHYDROINDOLE, 1H-Indole, 2,3-dihydro-, I5605_ALDRICH, 57240_FLUKA, CHEBI:43295, EINECS 207-816-8, BRN 0111915, SBB004291, ZINC00967454, AI3-39164, LS-82883, LS-82884, TL8003301, 5-20-06-00238 (Beilstein Handbook Reference), AG-690/11351758, IDM, InChI=1/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H

Molecular Formula: C8H9NMolecular Weight: 119.163760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LPAGFVYQRIESJQ-UHFFFAOYSA-N

• L-Phenylalaninol
IUPAC Name: 2-amino-3-phenylpropan-1-ol | CAS Registry Number: 3182-95-4
Synonyms: S-Phenylalaninol, Phenylalaninol, (S)-2-Benzylethanolamine, (S)-beta-Aminobenzenepropanol, Benzenepropanol, beta-amino-, L-2-Amino-3-phenyl-1-propanol, L-2-Amino-3-phenylpropan-1-ol, 2-Amino-3-phenyl-1-propanol, (R)-2-Amino-3-phenylpropanol, EINECS 221-674-4, 1-Propanol, 2-amino-3-phenyl-, L-, NSC20899, EINECS 226-086-1, Benzenepropanol, beta-amino-, (S)-, NSC 20899, NSC133421, Benzenepropanol, .beta.-amino-, (R)-, NCGC00095352-01, (S)-(-)-2-Amino-3-phenyl-1-propanol, LS-121681

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

InChIKey: STVVMTBJNDTZBF-UHFFFAOYSA-N

• Methyl 4-hydroxycinnamate
IUPAC Name: methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate | CAS Registry Number: 19367-38-5
Synonyms: 3943-97-3, Methyl p-hydroxycinnamate, Methyl p-coumarate, methyl 3-(4-hydroxyphenyl)acrylate, p-hydroxy methyl cinnamate, CHEMBL146816, p-Hydroxycinnamic acid methyl ester, 4-Hydroxycinnamic acid methyl ester, SBB002393, Cinnamic acid, p-hydroxy-, methyl ester, methyl 3-(4-hydroxyphenyl)prop-2-enoate, methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate, methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate, 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester, 4-Coumaric acid methyl ester, Methyl-p-coumarate, PubChem3126, Cinnamic acid, p-hydroxy-, methyl ester (8CI), Methyl trans-p-Coumarate, AC1NSYA7

Molecular Formula: C10H10O3Molecular Weight: 178.184600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NITWSHWHQAQBAW-QPJJXVBHSA-N

• N-Benzylglycine
IUPAC Name: 2-(phenylmethylamino)acetic acid | CAS Registry Number: 17136-36-6
Synonyms: N-benzyl glycine, N-(Phenylmethyl)glycine, N-BENZ0YLGLYCINE, Glycine, N-(phenylmethyl)-, TPC-I032, EINECS 241-194-9, NSC166840, ST5408222, EU-0096385

Molecular Formula: C9H11NO2Molecular Weight: 165.189140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KGSVNOLLROCJQM-UHFFFAOYSA-N

• Octachloronaphthalene
IUPAC Name: 1,2,3,4,5,6,7,8-octachloronaphthalene | CAS Registry Number: 2234-13-1
Synonyms: Perna, Halowax 1051, Perchloronaphthalene, Naphthalene, octachloro-, Octachloro naphthalene, OCTACHLORONAPHTHALENE, HSDB 5457, EINECS 218-778-7, NSC 243655, BRN 1653604, 1,2,3,4,5,6,7,8-Octachloronaphthalene, NSC243655, LS-2291, 4-05-00-01665 (Beilstein Handbook Reference)

Molecular Formula: C10Cl8Molecular Weight: 403.731000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: RTNLUFLDZOAXIC-UHFFFAOYSA-N

• p-Fluorocinnamic Acid
IUPAC Name: (E)-3-(4-fluorophenyl)prop-2-enoic acid | CAS Registry Number: 459-32-5
Synonyms: 4-Fluorocinnamic acid, p-Fluorocinnamic acid, (E)-p-Fluorocinnamic acid, 222720_ALDRICH, ARONIS002232, NSC74070, EINECS 207-288-9, EINECS 238-214-3, SBB005718, FR-0078, (2E)-3-(4-Fluorophenyl)-2-propenoic acid, 2-Propenoic acid, 3-(4-fluorophenyl)-, (E)-, 14290-86-9

Molecular Formula: C9H7FO2Molecular Weight: 166.149083 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ISMMYAZSUSYVQG-ZZXKWVIFSA-N

• Piperazine Ferulate
IUPAC Name: 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;piperazine | CAS Registry Number: 171876-65-6
Synonyms: Piperazine 3-(4-hydroxy-3-methoxyphenyl)acrylate, SureCN4890965, KB-259285, A811361, 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid; piperazine, 3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoic acid; piperazine

Molecular Formula: C14H20N2O4Molecular Weight: 280.319600 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: MUQIDFWDLOFXEP-UHFFFAOYSA-N

• Primaquine Diphosphate
IUPAC Name: 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine; phosphoric acid | CAS Registry Number: 63-45-6
Synonyms: primaquine diphosphate, PRIMAQUINE, Primaquine (TN), Prestwick_406, PRIMAQUINE PHOSPHATE, Primaquine bisphosphate, Primaquine bis(phosphate), Primaquine phosphate [USAN], Primaquine diphosphate salt, Primaquine phosphate (USP), CCRIS 1946, SPECTRUM1500500, 160393_ALDRICH, EINECS 200-560-8, CID6135, C15H21N3O.2H3O4P, NSC 149765, NCGC00094767-01, NCGC00094767-02, LS-141315

Molecular Formula: C15H27N3O9P2Molecular Weight: 455.337102 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 12

InChIKey: GJOHLWZHWQUKAU-UHFFFAOYSA-N

• S-4-Phenyl-2-oxazolidinone
IUPAC Name: (4S)-4-phenyl-1,3-oxazolidin-2-one | CAS Registry Number: 99395-88-7
Synonyms: 376698_ALDRICH, 78875_FLUKA, (S)-()-4-Phenyl-2-oxazolidinone, ZINC00143123, (S)-(+)-4-Phenyl-2-oxazolidinone, TL8006065, A00133, InChI=1/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QDMNNMIOWVJVLY-MRVPVSSYSA-N

• Trans 3-Fluorocinnamic Acid
IUPAC Name: (E)-3-(3-fluorophenyl)prop-2-enoic acid | CAS Registry Number: 20595-30-6
Synonyms: 3-Fluorocinnamic acid, m-Fluorocinnamic acid, (E)-m-Fluorocinnamic acid, trans-3-Fluorocinnamic acid, 290483_ALDRICH, MolPort-000-155-557, JRD-0525, NSC73988, EINECS 207-281-0, EINECS 243-902-1, CID1551219, trans-3-(3-Fluorophenyl)propenoic acid, TL8003182, (2E)-3-(3-Fluorophenyl)-2-propenoic acid, F0264, 2-Propenoic acid, 3-(3-fluorophenyl)-, (E)-, I01-4697, I04-0165, T5258540, 458-46-8

Molecular Formula: C9H7FO2Molecular Weight: 166.149083 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RTSIUKMGSDOSTI-SNAWJCMRSA-N

• trans-1,4-dibromobut-2-ene
IUPAC Name: (E)-1,4-dibromobut-2-ene | CAS Registry Number: 821-06-7
Synonyms: Dibromobutene, 1,4-Dibromo-2-butene, sGPDAbWDRUZZBJ@, (E)-1,4-Dibromo-2-butene, 1,4-Dibromobut-2-ene, trans-1,4-Dibromobut-2-ene, 2-BUTENE, 1,4-DIBROMO-, (E)-1,4-Dibromobut-2-ene, (2E)-1,4-dibromobut-2-ene, D39207_ALDRICH, trans-1,4-Dibromo-2-Butene, TL 80, 2-Butene, 1,4-dibromo-, (2E)-, (2E)-1,4-Dibromo-2-butene, EINECS 212-472-7, EINECS 230-219-9, 2-Butene, 1,4-dibromo-, (E)-, NSC 23187, BRN 1719694, BRN 1719696

Molecular Formula: C4H6Br2Molecular Weight: 213.898440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: RMXLHIUHKIVPAB-OWOJBTEDSA-N

• trans-Ferulic Acid
IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid | CAS Registry Number: 537-98-4
Synonyms: ferulic acid, ferulate, (E)-Ferulic acid, Ferulic acid, trans-, 4-Hydroxy-3-methoxycinnamic acid, Spectrum5_000554, ferulic acid, (E)-isomer, BSPBio_003168, FERULIC ACID (TRANS), MLS001066385, MLS001332483, MLS001332484, SPECTRUM1501017, W518301_ALDRICH, 128708_ALDRICH, CCRIS 7575, Cinnamic acid, 4-hydroxy-3-methoxy-, 46278_FLUKA, CHEBI:17620, EINECS 208-679-7

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KSEBMYQBYZTDHS-HWKANZROSA-N

• Tribromoacetic Acid
IUPAC Name: 2,2,2-tribromoacetic acid | CAS Registry Number: 75-96-7
Synonyms: Tribromoacetic acid, Tribromacetic acid, sNplJqbKDvIdTaeTp@, Acetic acid, tribromo-, CCRIS 7887, T48208_ALDRICH, 442819_SUPELCO, Acetic acid, 2,2,2-tribromo-, EINECS 200-919-9, HSDB 7623, CID6415, LS-1681

Molecular Formula: C2HBr3O2Molecular Weight: 296.740140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QIONYIKHPASLHO-UHFFFAOYSA-N

• Z-Lys(Boc)-OH
IUPAC Name: (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 90719-32-7
Synonyms: (S)-4-Benzyl-2-oxazolidinone, 294640_ALDRICH, 13616_FLUKA, CID736225, ZINC00156419, ZINC04284392, SB 02020, TL8005821, InChI=1/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OJOFMLDBXPDXLQ-VIFPVBQESA-N

• 4-Dimethylamino Cinnamic Acid
IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enoic acid | CAS Registry Number: 1552-96-1
Synonyms: p-(Dimethylamino)cinnamic acid, 4-(Dimethylamino)cinnamic acid, 218979_ALDRICH, 4-(Dimethylamino)Cinnamic Acid., 4-(N,N-Dimethylamino)cinnamic acid, NSC638140, AIDS021431, AIDS-021431, NSC13673, EINECS 216-299-8, NSC643350 (SODIUM SALT), p-Dimethylaminocinnamic acid, sodium salt, AI3-62575, 2-Propenoic acid, 3-(4-(dimethylamino)phenyl)-, T5269467

Molecular Formula: C11H13NO2Molecular Weight: 191.226420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CQNPVMCASGWEHM-VMPITWQZSA-N

• 2-Methylindoline
IUPAC Name: 2-methyl-2,3-dihydro-1H-indole | CAS Registry Number: 6872-06-6
Synonyms: Indoline, 2-methyl-, Dihydroindole, 2-methyl-, alpha-Methyldihydroindole, Ambap1636, 2,3-Dihydro-2-methylindole, 2-Methyl-2,3-dihydroindole, 1H-Indole, 2,3-dihydro-2-methyl-, .alpha.-Methyldihydroindole, NCIOpen2_000227, M51601_ALDRICH, PE-11, EINECS 229-971-0, NSC 65598, NSC65598, BRN 0081505, 2,3-DIHYDRO-2-METHYL-1H-INDOLE, LS-83460, 5-20-06-00344 (Beilstein Handbook Reference), InChI=1/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H, 138380-84-4

Molecular Formula: C9H11NMolecular Weight: 133.190340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QRWRJDVVXAXGBT-UHFFFAOYSA-N

• 2,4-Dihydroxybenzaldehyde
IUPAC Name: 2,4-dihydroxybenzaldehyde | CAS Registry Number: 95-01-2
Synonyms: beta-Resorcylaldehyde, 4-Formylresorcinol, beta-Resorcaldehyde, beta-Resorcinaldehyde, beta-Rosorcaldehyde, 4-Hydroxysalicylaldehyde, .beta.-Resorcylaldehyde, 2,4-DIHYDROXYBENZALDEHYDE, beta-Resorcylic aldehyde, Benzaldehyde, 2,4-dihydroxy-, 4-Hydroxysalicyladehyde, .beta.-Resorcaldehyde, Salicylaldehyde, 4-hydroxy-, 2,4-Dihydroxybenzenecarbonal, .beta.-Resorcinaldehyde, 2,4-Dihydroxybenzaldehyd, .beta.-Resorcylic aldehyde, MLS001076174, 168637_ALDRICH, NSC 8690

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IUNJCFABHJZSKB-UHFFFAOYSA-N

• 2,4-Dimethoxybenzaldehyde
IUPAC Name: 2,4-dimethoxybenzaldehyde | CAS Registry Number: 613-45-6
Synonyms: Benzaldehyde, 2,4-dimethoxy-, 2,4-bis(methyloxy)benzaldehyde, MLS000723769, D130400_ALDRICH, 38619_FLUKA, EINECS 210-342-4, NSC 27023, NSC27023, ZINC00157150, AI3-21269, SMR000305364, TL806274, LS-184890, ST5213370, AK-087/40243220, InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LWRSYTXEQUUTKW-UHFFFAOYSA-N

• 3-Chloro Cinnamic Acid
IUPAC Name: (E)-3-(3-chlorophenyl)prop-2-enoic acid | CAS Registry Number: 1866-38-2
Synonyms: m-Chlorocinnamic acid, 3-CHLOROCINNAMIC ACID, (E)-m-Chlorocinnamic acid, ALBB-006018, NSC61876, EINECS 217-478-3, EINECS 238-466-4, CID735250, NSC 61876, NSC623439, SBB012383, (2E)-3-(3-chlorophenyl)acrylic acid, 14473-90-6, InChI=1/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4

Molecular Formula: C9H7ClO2Molecular Weight: 182.603680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FFKGOJWPSXRALK-SNAWJCMRSA-N

• 2-nitro-5-hydroxybenzaidehyde
IUPAC Name: 5-hydroxy-2-nitrobenzaldehyde | CAS Registry Number: 42454-06-8
Synonyms: 5-Hydroxy-2-nitrobenzaldehyde, 3-Formyl-4-nitrophenol, Ambap4511, 6-Nitro-3-hydroxybenzaldehyde, H48107_ALDRICH, 55972_FLUKA, EINECS 255-832-9, NSC 93899, BENZALDEHYDE, 5-HYDROXY-2-NITRO-, CID39211, NSC93899, BRN 1910196, LS-25078, 4-08-00-00250 (Beilstein Handbook Reference), InChI=1/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XLYPHUGUKGMURE-UHFFFAOYSA-N

• 2,5-Dibromobenzoic Acid
IUPAC Name: 2,5-dibromobenzoic acid | CAS Registry Number: 610-71-9
Synonyms: 2,5-Dibromobenzoic acid, BENZOIC ACID, 2,5-DIBROMO-, 516759_ALDRICH, EINECS 210-234-7, NSC190697, NSC 190697, CID11891, BRN 1868193, LS-36757, ST5408571, TL8003864, 4-09-00-01027 (Beilstein Handbook Reference)

Molecular Formula: C7H4Br2O2Molecular Weight: 279.913460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SQQKOTVDGCJJKI-UHFFFAOYSA-N

• 2,3-Dimethoxy-5-Methyl-P-Benzoquinone (CAS: 3303-98-0)
• 5-Cyanoindole
IUPAC Name: 1H-indole-5-carbonitrile | CAS Registry Number: 15861-24-2
Synonyms: 1H-Indole-5-carbonitrile, INDOLE-5-CARBONITRILE, C92006_ALDRICH, EINECS 239-986-4, SBB004148, ZINC00157017, LS-82429, TL8001198, C-8840, InChI=1/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11

Molecular Formula: C9H6N2Molecular Weight: 142.157340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YHYLDEVWYOFIJK-UHFFFAOYSA-N

• 3,4-Dimethoxy Cinnamic Acid
IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 2316-26-9
Synonyms: Dimethyl caffeic acid, Dimethylcaffeic acid, Caffeic acid dimethyl ether, Spectrum5_000142, 3,4-DIMETHOXYCINNAMIC ACID, 3, 4-Dimethoxycinnamic acid, BSPBio_001672, SPECTRUM210567, MLS000570053, D133809_ALDRICH, SPECTRUM1505130, NSC4323, ARONIS023564, Cinnamic acid, 3,4-dimethoxy-, AIDS021439, AIDS-021439, ALBB-004705, NSC43569, (E)-3',4'-Dimethoxycinnamic acid, EINECS 238-801-4

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HJBWJAPEBGSQPR-GQCTYLIASA-N

• 3-Bromocinnamic acid
IUPAC Name: (E)-3-(3-bromophenyl)prop-2-enoic acid | CAS Registry Number: 14473-91-7
Synonyms: M-BROMOCINNAMIC ACID, Cinnamic acid, m-bromo-, BW A800U, WLN: QV1U1R CE, 118931_ALDRICH, EINECS 251-267-7, 2-Propenoic acid, 3-(3-bromophenyl)-, 3-(3-Bromophenyl)-2-propenoic acid, NSC 102779, ALBB-007482, NSC102779, (2E)-3-(3-bromophenyl)acrylic acid, IDI1_007674, 3-Bromocinnamic acid, predominantly trans, LS-54040, (E)-3-(3-Bromophenyl)-2-propenoic acid, ST5308009, 2-Propenoic acid, 3-(3-bromophenyl)-, (E)-, T0515-2991, 32862-97-8

Molecular Formula: C9H7BrO2Molecular Weight: 227.054680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YEMUSDCFQUBPAL-SNAWJCMRSA-N

• 2-Chlorobenzoxazole
IUPAC Name: 2-chloro-1,3-benzoxazole | CAS Registry Number: 615-18-9
Synonyms: BENZOXAZOLE, 2-CHLORO-, NSC8439, 274089_ALDRICH, WLN: T56 BN DOJ CG, NSC 8439, EINECS 210-414-5, CID11986, BRN 0115982, ZINC00404788, LS-42157, ST5209073, 2-27-00-00017 (Beilstein Handbook Reference), InChI=1/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4

Molecular Formula: C7H4ClNOMolecular Weight: 153.565760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BBVQDWDBTWSGHQ-UHFFFAOYSA-N

• 2,4,6-Trimethoxybenzonitrile
IUPAC Name: 2,4,6-trimethoxybenzonitrile | CAS Registry Number: 2571-54-2
Synonyms: Benzonitrile, 2,4,6-trimethoxy-, EINECS 219-917-4, ZINC00388350, ST5308614, InChI=1/C10H11NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,1-3H

Molecular Formula: C10H11NO3Molecular Weight: 193.199240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GBRHJUMDNWLSCT-UHFFFAOYSA-N

• 3-Hydroxycinnamic Acid
IUPAC Name: (E)-3-(3-hydroxyphenyl)prop-2-enoic acid | CAS Registry Number: 14755-02-3
Synonyms: 3-Coumaric acid, m-Hydroxycinnamic acid, M-COUMARIC ACID, Hydroxycinnamic acid, 3-Hydroxycinnamic acid, Cinnamic acid, m-hydroxy-, trans-3-Hydroxycinnamate, trans-3-coumaric acid, trans-3-Hydroxycinnamic acid, H23007_ALDRICH, 3-(3-Hydroxyphenyl)acrylic acid, CHEBI:32357, CHEBI:47925, (2E)-3-(3-hydroxyphenyl)acrylic acid, 2-Propenoic acid, 3-(3-hydroxyphenyl)-, ALBB-006261, EINECS 209-615-0, CID637541, NSC 28956, NSC 50308

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KKSDGJDHHZEWEP-SNAWJCMRSA-N

• 2-Bromocinnamic Acid
IUPAC Name: (E)-3-(2-bromophenyl)prop-2-enoic acid | CAS Registry Number: 7345-79-1
Synonyms: 2-Bromocinnamic acid, o-Bromocinnamic acid, bromocinnamic acid,2-, trans-2-Bromocinnamic acid, (E)-3-(2-bromophenyl)prop-2-enoic acid, (2E)-3-(2-bromophenyl)prop-2-enoic acid, 3-(2-bromo-phenyl)-acrylic acid, 3-(2-bromophenyl)prop-2-enoic acid, SBB050858, 7499-56-1, AG-G-90582, PubChem3756, 2-bromo cinnamic acid, AC1LELU0, SureCN1049717, trans-2-Bromocinnamic acid,, RARECHEM BK HC T304, 3-(2-Bromophenyl)acrylic acid, 467421_ALDRICH, OMHDOOAFLCMRFX-AATRIKPKSA-

Molecular Formula: C9H7BrO2Molecular Weight: 227.054680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OMHDOOAFLCMRFX-AATRIKPKSA-N

• 3,4-Dimethoxybenzaldehyde
IUPAC Name: 3,4-dimethoxybenzaldehyde | CAS Registry Number: 120-14-9
Synonyms: VERATRALDEHYDE, Methylvanillin, Veratric aldehyde, Veratral, Veratryl aldehyde, Veratrum aldehyde, Vanillin methyl ether, p-Veratric aldehyde, 4-O-Methylvanillin, Benzaldehyde, 3,4-dimethoxy-, 3,4-Dimethoxybenzenecarbonal, FEMA No. 3109, CCRIS 6285, Protocatechualdehyde dimethyl ether, WLN: VHR CO1 DO1, W310905_ALDRICH, 143758_ALDRICH, Protocatechuic aldehyde dimethyl ether, 94860_FLUKA, CHEBI:17098

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WJUFSDZVCOTFON-UHFFFAOYSA-N

• 2,6-Dichloro Benzoxazole
IUPAC Name: 2,6-dichloro-1,3-benzoxazole | CAS Registry Number: 3621-82-7
Synonyms: 2,6-Dichlorobenzoxazole, EINECS 222-818-9, CID77175

Molecular Formula: C7H3Cl2NOMolecular Weight: 188.010820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LVVQTPZQNHQLOM-UHFFFAOYSA-N

• 4-Chloro Cinnamic Acid
IUPAC Name: (E)-3-(4-chlorophenyl)prop-2-enoic acid | CAS Registry Number: 1615-02-7
Synonyms: p-Chlorocinnamic acid, 4-CHLOROCINNAMIC ACID, Cinnamic acid, p-chloro-, (E)-p-Chlorocinnamic acid, trans-p-Chlorocinnamic acid, 3-(p-Chlorophenyl)acrylic acid, WLN: QV1U1R DG, CCRIS 3779, p-Chloro-trans-cinnamic acid, C31600_ALDRICH, CINNAMIC ACID,4-CHLORO, ARONIS014007, Cinnamic acid, p-chloro-, trans-, 3-(4-chlorophenyl)acrylic acid, NSC 1509, NSC 2756, EINECS 216-564-8, NSC1509, NSC2756, 2-Propenoic acid, 3-(4-chlorophenyl)-

Molecular Formula: C9H7ClO2Molecular Weight: 182.603680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GXLIFJYFGMHYDY-ZZXKWVIFSA-N

• (S)-4-Benzyl-3-propionyl-2-oxazolidinone
IUPAC Name: (4S)-4-(phenylmethyl)-3-propanoyl-1,3-oxazolidin-2-one | CAS Registry Number: 101711-78-8
Synonyms: 458775_ALDRICH, ZINC00403113, CID2733696, ST5405910, TL8000098, (S)-()-4-Benzyl-3-propionyl-2-oxazolidinone, (4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone

Molecular Formula: C13H15NO3Molecular Weight: 233.263100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WHOBYFHKONUTMW-NSHDSACASA-N

• 3,4-Dimethoxycinnamic acid
IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 14737-89-4
Synonyms: Dimethyl caffeic acid, Dimethylcaffeic acid, Caffeic acid dimethyl ether, Spectrum5_000142, 3,4-DIMETHOXYCINNAMIC ACID, 3, 4-Dimethoxycinnamic acid, BSPBio_001672, SPECTRUM210567, MLS000570053, D133809_ALDRICH, SPECTRUM1505130, NSC4323, ARONIS023564, Cinnamic acid, 3,4-dimethoxy-, AIDS021439, AIDS-021439, ALBB-004705, NSC43569, (E)-3',4'-Dimethoxycinnamic acid, EINECS 238-801-4

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HJBWJAPEBGSQPR-GQCTYLIASA-N

• 3-Fluoro-4-(hydroxymethyl)benzonitrile
IUPAC Name: 3-fluoro-4-(hydroxymethyl)benzonitrile | CAS Registry Number: 219873-06-0
Synonyms: 4-cyano-2-fluorobenzyl alcohol, 3-fluoro-4-(hydroxymethyl)benzonitrile, PubChem11157, AGN-PC-009YGE, SureCN1162443, CTK1A1217, MolPort-004-766-506, ACN-S002021, ACT12503, ANW-72561, SBB064991, ZINC34582528, AKOS009345801, AG-E-60427, RP21444, 3-Fluoro-4-(hydroxymethyl)-benzonitrile, 3-Fluoro-4-(hydroxymethyl)benzonitrile;, AK-34149, KB-38353, Benzonitrile, 3-fluoro-4-(hydroxymethyl)-

Molecular Formula: C8H6FNOMolecular Weight: 151.137743 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YGAURRAHPYQHDC-UHFFFAOYSA-N

• 2,4,6-Trimethoxybenzaldehyde
IUPAC Name: 2,4,6-trimethoxybenzaldehyde | CAS Registry Number: 830-79-5
Synonyms: Benzaldehyde, 2,4,6-trimethoxy-, 138711_ALDRICH, 92134_FLUKA, EINECS 212-598-2, BRN 1956051, SBB000351, ZINC00032312, AI3-36672, LS-25169, TL8005471, 4-08-00-02717 (Beilstein Handbook Reference), AB-131/40897219

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CRBZVDLXAIFERF-UHFFFAOYSA-N

• (S)-(+)-2-Amino-2-Phenylethanol
IUPAC Name: (2S)-2-amino-2-phenylethanol | CAS Registry Number: 20989-17-7
Synonyms: D-Phenylglycinol, 2-Amino-2-phenylethanol, 2-Amino-2-pheynlethanol, 2-Amino-2-phenyl-ethanol, L-()-alpha-Phenylglycinol, Benzeneethanol, beta-amino-, (S)-()-2-Phenylglycinol, (S)-2-Amino-2-phenylethanol, 282693_ALDRICH, 78585_FLUKA, Benzeneethanol, beta-amino-, (S)-, SBB006667, TL806424, InChI=1/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IJXJGQCXFSSHNL-MRVPVSSYSA-N

• 3-Nitro Cinnamic Acid
IUPAC Name: (Z)-3-(3-nitrophenyl)prop-2-enoic acid | CAS Registry Number: 555-68-0
Synonyms: m-Nitrocinnamic acid, Cinnamic acid, m-nitro, Cinnamic acid, m-nitro-, NSC5408, 2-Propenoic acid, 3-(3-nitrophenyl)-

Molecular Formula: C9H7NO4Molecular Weight: 193.156180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WWXMVRYHLZMQIG-PLNGDYQASA-N

• 2-Fluorocinnamic acid
IUPAC Name: (E)-3-(2-fluorophenyl)prop-2-enoic acid | CAS Registry Number: 451-69-4
Synonyms: o-Fluorocinnamic acid, Cinnamic acid, o-fluoro-, ortho-Fluorocinnamate, 2-Propenoic acid, 3-(2-fluorophenyl)-, 222712_ALDRICH, EINECS 207-195-3, Cinnamic acid, o-fluoro-, (Z)-, NSC73989, BRN 1863963, IVK/1011865, LS-54106, TL8003132, (2E)-3-(2-Fluorophenyl)-2-propenoic acid, 2-Propenoic acid, 3-(2-fluorophenyl)-, (E)-, 0-09-00-00594 (Beilstein Handbook Reference), 20595-29-3

Molecular Formula: C9H7FO2Molecular Weight: 166.149083 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IOUDZAFBPDDAMK-AATRIKPKSA-N

• 4-Nitrocinnamic acid
IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-enoate | CAS Registry Number: 619-89-6
Synonyms: ZINC00164538

Molecular Formula: C9H6NO4-Molecular Weight: 192.148240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XMMRNCHTDONGRJ-ZZXKWVIFSA-M


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