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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, (R)-

SMILES

CNC(=O)C1=CC=C2C=C(C=CC2=C1)[C@]3(O)CCN4C=NC=C34

InChI

InChIKey=OZPFIJIOIVJZMN-GOSISDBHSA-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-/m1/s1

HIDE SMILES / InChI
Orteronel R form or also known as TAK-700 R-form is a naphthylmethylimidazole derivative.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Development and validation of an enantioselective LC-MS/MS method to quantify enantiomers of (±)-TAK-700 in rat plasma: lack of in vivo inversion of (+)-TAK-700 (Orteronel) to its antipode.
2013-02
Discovery of orteronel (TAK-700), a naphthylmethylimidazole derivative, as a highly selective 17,20-lyase inhibitor with potential utility in the treatment of prostate cancer.
2011-11-01

Sample Use Guides

single dose of 1 mg/kg in a male cynomolgus monkey model for 5 h and 8 h
Route of Administration: Oral
In Vitro Use Guide
Unknown
Name Type Language
ORTERONEL, (R)-
Common Name English
2-NAPHTHALENECARBOXAMIDE, 6-((7R)-6,7-DIHYDRO-7-HYDROXY-5H-PYRROLO(1,2-C)IMIDAZOL-7-YL)-N-METHYL-
Preferred Name English
Code System Code Type Description
CAS
752243-39-3
Created by admin on Mon Mar 31 23:18:44 GMT 2025 , Edited by admin on Mon Mar 31 23:18:44 GMT 2025
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EPA CompTox
DTXSID90226191
Created by admin on Mon Mar 31 23:18:44 GMT 2025 , Edited by admin on Mon Mar 31 23:18:44 GMT 2025
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FDA UNII
267WB8R4TI
Created by admin on Mon Mar 31 23:18:44 GMT 2025 , Edited by admin on Mon Mar 31 23:18:44 GMT 2025
PRIMARY
PUBCHEM
10335364
Created by admin on Mon Mar 31 23:18:44 GMT 2025 , Edited by admin on Mon Mar 31 23:18:44 GMT 2025
PRIMARY