CETRAXATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H23NO4
Molecular Weight	305.3688
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC[C@H]1CC[C@@H](CC1)C(=O)OC2=CC=C(CCC(O)=O)C=C2

InChI

InChIKey=FHRSHSOEWXUORL-HDJSIYSDSA-N

InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)/t13-,14-

HIDE SMILES / InChI

Molecular Formula	C17H23NO4
Molecular Weight	305.3688
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:12:29 UTC 2023` Edited by `admin` on `Fri Dec 15 16:12:29 UTC 2023`
Record UNII	5VPA8CPF0N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CETRAXATE

Official Name

English

BENZENEPROPANOIC ACID, 4-(((4-(AMINOMETHYL)CYCLOHEXYL)CARBONYL)OXY)-, TRANS-

Common Name

English

cetraxate [INN]

Common Name

English

BENZENEPROPANOIC ACID, 4-(((TRANS-4-(AMINOMETHYL)CYCLOHEXYL)CARBONYL)OXY)-

Common Name

English

P-HYDROXYHYDROCINNAMIC ACID TRANS-4-(AMINOMETHYL)CYCLOHEXANECARBOXYLATE

Common Name

English

CETRAXATE [MI]

Common Name

English

Cetraxate [WHO-DD]

Common Name

English

CETRAXATE [JAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28197

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

Code System Code Type Description

DRUG CENTRAL

582

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

PRIMARY

CHEBI

17340

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

PRIMARY

ChEMBL

CHEMBL1187445

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

PRIMARY

INN

4091

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

PRIMARY

SMS_ID

100000081516

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

PRIMARY

EPA CompTox

DTXSID2040658

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

PRIMARY

CAS

34675-84-8

Created by admin on Fri Dec 15 16:12:29 UTC 2023 , Edited by admin on Fri Dec 15 16:12:29 UTC 2023

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MERCK INDEX

m3293

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

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Merck Index

MESH

C000665

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

PRIMARY

NCI_THESAURUS

C79885

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

PRIMARY

FDA UNII

5VPA8CPF0N

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

PRIMARY

CHEBI

58112

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

PRIMARY

EVMPD

SUB07457MIG

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

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WIKIPEDIA

Cetraxate

Created by admin on Fri Dec 15 16:12:30 UTC 2023 , Edited by admin on Fri Dec 15 16:12:30 UTC 2023

PRIMARY

Related Record Type Details


					08IT6P8VHY

CETRAXATE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					5VPA8CPF0N

CETRAXATE

ACTIVE MOIETY