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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H11Cl2N3
Molecular Weight 244.12
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SOFINICLINE

SMILES

[H][C@@]12CN[C@]1([H])CN(C2)C3=CC(Cl)=C(Cl)N=C3

InChI

InChIKey=MBQYQLWSBRANKQ-IMTBSYHQSA-N
InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H11Cl2N3
Molecular Weight 244.12
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:19:38 UTC 2023
Edited
by admin
on Sat Dec 16 17:19:38 UTC 2023
Record UNII
SQC232V4YY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SOFINICLINE
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
ABT-894
Code English
sofinicline [INN]
Common Name English
SOFINICLINE [USAN]
Common Name English
3,6-DIAZABICYCLO(3.2.0)HEPTANE, 3-(5,6-DICHLORO-3-PYRIDINYL)-, (1S,5S)-
Systematic Name English
A-422894.0
Code English
(-)-(1S,5S)-3-(5,6-DICHLOROPYRIDIN-3-YL)-3,6-DIAZABICYCLO(3.2.0)HEPTANE
Systematic Name English
Sofinicline [WHO-DD]
Common Name English
Code System Code Type Description
NCI_THESAURUS
C80527
Created by admin on Sat Dec 16 17:19:38 UTC 2023 , Edited by admin on Sat Dec 16 17:19:38 UTC 2023
PRIMARY
CAS
799279-80-4
Created by admin on Sat Dec 16 17:19:38 UTC 2023 , Edited by admin on Sat Dec 16 17:19:38 UTC 2023
PRIMARY
DRUG BANK
DB12527
Created by admin on Sat Dec 16 17:19:38 UTC 2023 , Edited by admin on Sat Dec 16 17:19:38 UTC 2023
PRIMARY
FDA UNII
SQC232V4YY
Created by admin on Sat Dec 16 17:19:38 UTC 2023 , Edited by admin on Sat Dec 16 17:19:38 UTC 2023
PRIMARY
PUBCHEM
10131048
Created by admin on Sat Dec 16 17:19:38 UTC 2023 , Edited by admin on Sat Dec 16 17:19:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID901000842
Created by admin on Sat Dec 16 17:19:38 UTC 2023 , Edited by admin on Sat Dec 16 17:19:38 UTC 2023
PRIMARY
SMS_ID
300000034386
Created by admin on Sat Dec 16 17:19:38 UTC 2023 , Edited by admin on Sat Dec 16 17:19:38 UTC 2023
PRIMARY
ChEMBL
CHEMBL238465
Created by admin on Sat Dec 16 17:19:38 UTC 2023 , Edited by admin on Sat Dec 16 17:19:38 UTC 2023
PRIMARY
USAN
UU-63
Created by admin on Sat Dec 16 17:19:38 UTC 2023 , Edited by admin on Sat Dec 16 17:19:38 UTC 2023
PRIMARY
INN
9091
Created by admin on Sat Dec 16 17:19:38 UTC 2023 , Edited by admin on Sat Dec 16 17:19:38 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY