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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18F2N4O2S
Molecular Weight 404.434
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Enitociclib

SMILES

COC1=C(C=CC(F)=C1)C2=CC(NC3=NC=CC(C[S@@](C)(=N)=O)=C3)=NC=C2F

InChI

InChIKey=YZCUMZWULWOUMD-NDEPHWFRSA-N
InChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)/t28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H18F2N4O2S
Molecular Weight 404.434
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 19:32:00 GMT 2023
Edited
by admin
on Sat Dec 16 19:32:00 GMT 2023
Record UNII
1255AT22ZJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Enitociclib
USAN   INN  
Official Name English
BAY-1251152
Code English
VIP-152
Code English
enitociclib [INN]
Common Name English
csc(S)-[(2-{[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl]amino}pyridin-4-yl)methyl](imino)(methyl)-l6-sulfanone
Systematic Name English
VIP152
Code English
2-Pyridinamine, 5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[[[S(S)]-S-methylsulfonimidoyl]methyl]-2-pyridinyl]-
Systematic Name English
ENITOCICLIB [USAN]
Common Name English
Code System Code Type Description
FDA UNII
1255AT22ZJ
Created by admin on Sat Dec 16 19:32:00 GMT 2023 , Edited by admin on Sat Dec 16 19:32:00 GMT 2023
PRIMARY
NCI_THESAURUS
C128266
Created by admin on Sat Dec 16 19:32:00 GMT 2023 , Edited by admin on Sat Dec 16 19:32:00 GMT 2023
PRIMARY
PUBCHEM
139593425
Created by admin on Sat Dec 16 19:32:00 GMT 2023 , Edited by admin on Sat Dec 16 19:32:00 GMT 2023
PRIMARY
CAS
1610408-97-3
Created by admin on Sat Dec 16 19:32:00 GMT 2023 , Edited by admin on Sat Dec 16 19:32:00 GMT 2023
PRIMARY
SMS_ID
300000033599
Created by admin on Sat Dec 16 19:32:00 GMT 2023 , Edited by admin on Sat Dec 16 19:32:00 GMT 2023
PRIMARY
INN
12066
Created by admin on Sat Dec 16 19:32:00 GMT 2023 , Edited by admin on Sat Dec 16 19:32:00 GMT 2023
PRIMARY
USAN
LM-22
Created by admin on Sat Dec 16 19:32:00 GMT 2023 , Edited by admin on Sat Dec 16 19:32:00 GMT 2023
PRIMARY
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