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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H13N3
Molecular Weight 223.2731
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FADROZOLE, (S)-

SMILES

N#CC1=CC=C(C=C1)[C@@H]2CCCC3=CN=CN23

InChI

InChIKey=CLPFFLWZZBQMAO-AWEZNQCLSA-N
InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H13N3
Molecular Weight 223.2731
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 11:05:34 GMT 2023
Edited
by admin
on Sat Dec 16 11:05:34 GMT 2023
Record UNII
K9H9854X63
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FADROZOLE, (S)-
Common Name English
BENZONITRILE, 4-(5,6,7,8-TETRAHYDROIMIDAZO(1,5-A)PYRIDIN-5-YL)-, (S)-
Systematic Name English
(-)-FADROZOLE
Common Name English
Code System Code Type Description
FDA UNII
K9H9854X63
Created by admin on Sat Dec 16 11:05:34 GMT 2023 , Edited by admin on Sat Dec 16 11:05:34 GMT 2023
PRIMARY
CAS
102676-86-8
Created by admin on Sat Dec 16 11:05:34 GMT 2023 , Edited by admin on Sat Dec 16 11:05:34 GMT 2023
PRIMARY
SMS_ID
300000022393
Created by admin on Sat Dec 16 11:05:34 GMT 2023 , Edited by admin on Sat Dec 16 11:05:34 GMT 2023
PRIMARY
PUBCHEM
13688212
Created by admin on Sat Dec 16 11:05:34 GMT 2023 , Edited by admin on Sat Dec 16 11:05:34 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER