ORTERONEL

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H17N3O2
Molecular Weight	307.3465
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ORTERONEL

Structure Search

SMILES

CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)[C@@]3(O)CCN4C=NC=C34

InChI

InChIKey=OZPFIJIOIVJZMN-SFHVURJKSA-N

InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H17N3O2
Molecular Weight	307.3465
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:17:03 UTC 2023` Edited by `admin` on `Fri Dec 15 19:17:03 UTC 2023`
Record UNII	UE5K2FNS92
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ORTERONEL

Official Name

English

6-((7S)-7-HYDROXY-6,7-DIHYDRO-5H-PYRROLO(1,2-C)IMIDAZOL-7-YL)-N-METHYL-2-NAPHTHALENECARBOXAMIDE

Systematic Name

English

orteronel [INN]

Common Name

English

Orteronel [WHO-DD]

Common Name

English

ORTERONEL [JAN]

Common Name

English

2-NAPHTHALENECARBOXAMIDE, 6-((7S)-6,7-DIHYDRO-7-HYDROXY-5H-PYRROLO(1,2-C)IMIDAZOL-7-YL)-N-METHYL-

Systematic Name

English

TAK-700

Code

English

ORTERONEL [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C471

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

Code System Code Type Description

EVMPD

SUB126331

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

PRIMARY

SMS_ID

100000151906

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

PRIMARY

USAN

YY-51

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

PRIMARY

CAS

426219-18-3

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

UE5K2FNS92

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

PRIMARY

EPA CompTox

DTXSID001319121

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

PRIMARY

MESH

C571806

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

PRIMARY

CAS

566939-85-3

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

PRIMARY

INN

9332

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

PRIMARY

PUBCHEM

9796590

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

PRIMARY

WIKIPEDIA

ORTERONEL

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

PRIMARY

ChEMBL

CHEMBL1921976

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

PRIMARY

DRUG BANK

DB12066

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

PRIMARY

NCI_THESAURUS

C90582

Created by admin on Fri Dec 15 19:17:03 UTC 2023 , Edited by admin on Fri Dec 15 19:17:03 UTC 2023

PRIMARY

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CYTOCHROME P450 17A1

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Comments:

Inhibition of CYP17 activity thus decreases circulating levels of testosterone

Related Record Type Details


					UE5K2FNS92

ORTERONEL

ACTIVE MOIETY