U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H16Cl2N4
Molecular Weight 395.285
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3,4-DICHLOROPHENYL)-7-((1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL)-1,2,3,4-TETRAHYDROISOQUINOLINE, (4S)-

SMILES

ClC1=C(Cl)C=C(C=C1)[C@@H]2CNCC3=C2C=CC(=C3)C4=CN5N=CN=C5C=C4

InChI

InChIKey=VXVOMCCQHIVMJK-SFHVURJKSA-N
InChI=1S/C21H16Cl2N4/c22-19-5-2-14(8-20(19)23)18-10-24-9-16-7-13(1-4-17(16)18)15-3-6-21-25-12-26-27(21)11-15/h1-8,11-12,18,24H,9-10H2/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H16Cl2N4
Molecular Weight 395.285
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 Sat Dec 16 11:36:42 GMT 2023
Edited
by admin
on Sat Dec 16 11:36:42 GMT 2023
Record UNII
92R6N6C82N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(3,4-DICHLOROPHENYL)-7-((1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL)-1,2,3,4-TETRAHYDROISOQUINOLINE, (4S)-
Systematic Name English
(S)-7-((1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
Systematic Name English
ISOQUINOLINE, 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-7-(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL-, (4S)-
Systematic Name English
(4S)-4-(3,4-DICHLOROPHENYL)-7-((1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL)-1,2,3,4-TETRAHYDROISOQUINOLINE
Systematic Name English
Code System Code Type Description
FDA UNII
92R6N6C82N
Created by admin on Sat Dec 16 11:36:42 GMT 2023 , Edited by admin on Sat Dec 16 11:36:42 GMT 2023
PRIMARY
PUBCHEM
49765785
Created by admin on Sat Dec 16 11:36:42 GMT 2023 , Edited by admin on Sat Dec 16 11:36:42 GMT 2023
PRIMARY
CLINICAL_TRIALS.GOV
BMS-866949
Created by admin on Sat Dec 16 11:36:42 GMT 2023 , Edited by admin on Sat Dec 16 11:36:42 GMT 2023
PRIMARY Official Title: Placebo-Controlled, Ascending Single-Dose Study to Evaluate the Safety, Pharmacokinetics, and Pharmacodynamics of BMS-866949 in Healthy SubjectsPurpose: The purpose of this study is to evaluate the safety profile, tolerability, pharmacokinetics and pharmacodynamics of ascending single doses of BMS-866949 in healthy subjects.
CAS
1254941-82-6
Created by admin on Sat Dec 16 11:36:42 GMT 2023 , Edited by admin on Sat Dec 16 11:36:42 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY
Originator: AMRI; Class: Antidepressant; Mechanism of Action: Biogenic amine uptake inhibitor; Orphan Drug Status: No; On Fast track: No; New Molecular Entity: Yes; Highest Development Phase: Phase I for Major depressive disorder; Most Recent Events: 26 Mar 2012 Bristol-Myers Squibb terminates a phase I trial in volunteers in Sweden (NCT01124344), 31 Jul 2009 Phase-I clinical trials in Major depressive disorder in Sweden (PO)