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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16F2N2
Molecular Weight 274.3084
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAFADOFENSINE

SMILES

FC1=CC=C(C=C1)N([C@H]2CCNC2)C3=CC=C(F)C=C3

InChI

InChIKey=ZKEVVJGPWXTETN-INIZCTEOSA-N
InChI=1S/C16H16F2N2/c17-12-1-5-14(6-2-12)20(16-9-10-19-11-16)15-7-3-13(18)4-8-15/h1-8,16,19H,9-11H2/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H16F2N2
Molecular Weight 274.3084
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 13:53:12 GMT 2023
Edited
by admin
on Sat Dec 16 13:53:12 GMT 2023
Record UNII
7HFV4D3KJL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAFADOFENSINE
INN  
Official Name English
(3S)-N,N-BIS(4-FLUOROPHENYL)-3-PYRROLIDINAMINE
Systematic Name English
3-PYRROLIDINAMINE, N,N-BIS(4-FLUOROPHENYL)-, (3S)-
Systematic Name English
lafadofensine [INN]
Common Name English
Code System Code Type Description
FDA UNII
7HFV4D3KJL
Created by admin on Sat Dec 16 13:53:12 GMT 2023 , Edited by admin on Sat Dec 16 13:53:12 GMT 2023
PRIMARY
INN
11736
Created by admin on Sat Dec 16 13:53:12 GMT 2023 , Edited by admin on Sat Dec 16 13:53:12 GMT 2023
PRIMARY
NCI_THESAURUS
C188529
Created by admin on Sat Dec 16 13:53:12 GMT 2023 , Edited by admin on Sat Dec 16 13:53:12 GMT 2023
PRIMARY
PUBCHEM
15605612
Created by admin on Sat Dec 16 13:53:12 GMT 2023 , Edited by admin on Sat Dec 16 13:53:12 GMT 2023
PRIMARY
SMS_ID
300000042040
Created by admin on Sat Dec 16 13:53:12 GMT 2023 , Edited by admin on Sat Dec 16 13:53:12 GMT 2023
PRIMARY
CAS
914989-90-5
Created by admin on Sat Dec 16 13:53:12 GMT 2023 , Edited by admin on Sat Dec 16 13:53:12 GMT 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
MAJOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY