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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H17N3O
Molecular Weight 219.2829
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC(C)NC[C@@H](O)C1=CC(C#N)=C(N)C=C1

InChI

InChIKey=BUXRLJCGHZZYNE-GFCCVEGCSA-N
InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H17N3O
Molecular Weight 219.2829
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 11:18:06 GMT 2023
Edited
by admin
on Sat Dec 16 11:18:06 GMT 2023
Record UNII
4OH661A4XX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMATEROL, (S)-
Common Name English
BENZONITRILE, 2-AMINO-5-(1-HYDROXY-2-((1-METHYLETHYL)AMINO)ETHYL), (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
4OH661A4XX
Created by admin on Sat Dec 16 11:18:06 GMT 2023 , Edited by admin on Sat Dec 16 11:18:06 GMT 2023
PRIMARY
PUBCHEM
10911051
Created by admin on Sat Dec 16 11:18:06 GMT 2023 , Edited by admin on Sat Dec 16 11:18:06 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER