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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16F2N2.C4H4O4
Molecular Weight 390.3806
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of LAFADOFENSINE FUMARATE

SMILES

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

InChI

InChIKey=ZSZYIZVGIHDIEP-SBWPJONASA-N
InChI=1S/C16H16F2N2.C4H4O4/c17-12-1-5-14(6-2-12)20(16-9-10-19-11-16)15-7-3-13(18)4-8-15;5-3(6)1-2-4(7)8/h1-8,16,19H,9-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+/t16-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LAFADOFENSINE FUMARATE
Common Name English
3-PYRROLIDINAMINE, N,N-BIS(4-FLUOROPHENYL)-, (3S)-, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
164512900
Created by admin on Sat Dec 16 18:07:19 GMT 2023 , Edited by admin on Sat Dec 16 18:07:19 GMT 2023
PRIMARY
FDA UNII
ZUA3DUS2PW
Created by admin on Sat Dec 16 18:07:19 GMT 2023 , Edited by admin on Sat Dec 16 18:07:19 GMT 2023
PRIMARY
CAS
914989-91-6
Created by admin on Sat Dec 16 18:07:19 GMT 2023 , Edited by admin on Sat Dec 16 18:07:19 GMT 2023
PRIMARY