CAREBASTINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H37NO4
Molecular Weight	499.6405
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CAREBASTINE

Structure Search

SMILES

CC(C)(C(O)=O)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=XGHOVGYJHWQGCC-UHFFFAOYSA-N

InChI=1S/C32H37NO4/c1-32(2,31(35)36)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-28(20-23-33)37-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28,30H,9,14,19-23H2,1-2H3,(H,35,36)

HIDE SMILES / InChI

Molecular Formula	C32H37NO4
Molecular Weight	499.6405
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:24:02 UTC 2023` Edited by `admin` on `Fri Dec 15 16:24:02 UTC 2023`
Record UNII	75DLN707DO
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CAREBASTINE

Official Name

English

carebastine [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29578

Created by admin on Fri Dec 15 16:24:02 UTC 2023 , Edited by admin on Fri Dec 15 16:24:02 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL67654

Created by admin on Fri Dec 15 16:24:02 UTC 2023 , Edited by admin on Fri Dec 15 16:24:02 UTC 2023

PRIMARY

MESH

C058251

Created by admin on Fri Dec 15 16:24:02 UTC 2023 , Edited by admin on Fri Dec 15 16:24:02 UTC 2023

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CAS

90729-42-3

Created by admin on Fri Dec 15 16:24:02 UTC 2023 , Edited by admin on Fri Dec 15 16:24:02 UTC 2023

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NCI_THESAURUS

C77432

Created by admin on Fri Dec 15 16:24:02 UTC 2023 , Edited by admin on Fri Dec 15 16:24:02 UTC 2023

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FDA UNII

75DLN707DO

Created by admin on Fri Dec 15 16:24:02 UTC 2023 , Edited by admin on Fri Dec 15 16:24:02 UTC 2023

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PUBCHEM

65820

Created by admin on Fri Dec 15 16:24:02 UTC 2023 , Edited by admin on Fri Dec 15 16:24:02 UTC 2023

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EPA CompTox

DTXSID60238246

Created by admin on Fri Dec 15 16:24:02 UTC 2023 , Edited by admin on Fri Dec 15 16:24:02 UTC 2023

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EVMPD

SUB06623MIG

Created by admin on Fri Dec 15 16:24:02 UTC 2023 , Edited by admin on Fri Dec 15 16:24:02 UTC 2023

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SMS_ID

100000084571

Created by admin on Fri Dec 15 16:24:02 UTC 2023 , Edited by admin on Fri Dec 15 16:24:02 UTC 2023

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INN

5634

Created by admin on Fri Dec 15 16:24:02 UTC 2023 , Edited by admin on Fri Dec 15 16:24:02 UTC 2023

PRIMARY

Related Record Type Details


					TQD7Q784P1

EBASTINE

PARENT -> METABOLITE

Comments:

Produced as oxidation product with mediator.

Related Record Type Details


					75DLN707DO

ACTIVE MOIETY