OTENABANT

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H25Cl2N7O
Molecular Weight	510.418
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OTENABANT

Structure Search

SMILES

CCNC1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(Cl)C=C4)C5=CC=CC=C5Cl)C(N)=O

InChI

InChIKey=UNAZAADNBYXMIV-UHFFFAOYSA-N

InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

OTENABANT

Official Name

English

CP-945,598

Code

English

OTENABANT [USAN]

Common Name

English

4-PIPERIDINECARBOXAMIDE, 1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-4- (ETHYLAMINO)-

Systematic Name

English

CP-945598

Code

English

otenabant [INN]

Common Name

English

Otenabant [WHO-DD]

Common Name

English

1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-4-(ETHYLAMINO)PIPERIDINE-4- CARBOXAMIDE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29728

Created by admin on Sat Dec 16 18:01:29 UTC 2023 , Edited by admin on Sat Dec 16 18:01:29 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID20988316

Created by admin on Sat Dec 16 18:01:29 UTC 2023 , Edited by admin on Sat Dec 16 18:01:29 UTC 2023

PRIMARY

ChEMBL

CHEMBL562668

Created by admin on Sat Dec 16 18:01:29 UTC 2023 , Edited by admin on Sat Dec 16 18:01:29 UTC 2023

PRIMARY

FDA UNII

J8211Y53EF

Created by admin on Sat Dec 16 18:01:29 UTC 2023 , Edited by admin on Sat Dec 16 18:01:29 UTC 2023

PRIMARY

SMS_ID

100000127535

Created by admin on Sat Dec 16 18:01:29 UTC 2023 , Edited by admin on Sat Dec 16 18:01:29 UTC 2023

PRIMARY

EVMPD

SUB33607

Created by admin on Sat Dec 16 18:01:29 UTC 2023 , Edited by admin on Sat Dec 16 18:01:29 UTC 2023

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PUBCHEM

10052040

Created by admin on Sat Dec 16 18:01:29 UTC 2023 , Edited by admin on Sat Dec 16 18:01:29 UTC 2023

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CAS

686344-29-6

Created by admin on Sat Dec 16 18:01:29 UTC 2023 , Edited by admin on Sat Dec 16 18:01:29 UTC 2023

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USAN

TT-97

Created by admin on Sat Dec 16 18:01:29 UTC 2023 , Edited by admin on Sat Dec 16 18:01:29 UTC 2023

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DRUG BANK

DB11745

Created by admin on Sat Dec 16 18:01:29 UTC 2023 , Edited by admin on Sat Dec 16 18:01:29 UTC 2023

PRIMARY

NCI_THESAURUS

C84034

Created by admin on Sat Dec 16 18:01:29 UTC 2023 , Edited by admin on Sat Dec 16 18:01:29 UTC 2023

PRIMARY

WIKIPEDIA

OTENABANT

Created by admin on Sat Dec 16 18:01:29 UTC 2023 , Edited by admin on Sat Dec 16 18:01:29 UTC 2023

PRIMARY

INN

9009

Created by admin on Sat Dec 16 18:01:29 UTC 2023 , Edited by admin on Sat Dec 16 18:01:29 UTC 2023

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ACTIVE MOIETY


					J8211Y53EF

OTENABANT

METABOLITE (PARENT)


					Y0KJG11PJR

CE-114764

METABOLITE (PARENT)


					6R4ERM9B2E

1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-4-(HYDROXYAMINO)-4-PIPERIDINECARBOXAMIDE

METABOLITE (PARENT)


					SRU4YD01MF

N-DESETHYL OTENABANT

METABOLITE (PARENT)


					U7XUY5K4AT

4-PIPERIDINONE, 1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-, OXIME

METABOLITE (PARENT)


					XJN88C5NRE

(2S,3S,4S,5R,6S)-6-((4-CARBAMOYL-1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)PURIN-6-YL)-4-PIPERIDYL)AMINO)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE (PARENT)


					DW7L37298U

(2S,3S,4S,5R,6R)-6-((4-CARBAMOYL-1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)PURIN-6-YL)-4-PIPERIDYL)AMINO)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE (PARENT)


					MG133Y6M32

CE-127773

SALT/SOLVATE (PARENT)


					X2166Z319O

OTENABANT HYDROCHLORIDE