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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23F3N4O3.2CH4O3S
Molecular Weight 640.65
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AFP-464

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.CC1=C(F)C(N)=C2C(=O)C=C(OC2=C1F)C3=CC=C(NC(=O)[C@@H](N)CCCCN)C(F)=C3

InChI

InChIKey=FDQJDUBLCBZBCQ-GXKRWWSZSA-N
InChI=1S/C22H23F3N4O3.2CH4O3S/c1-10-18(24)20(28)17-15(30)9-16(32-21(17)19(10)25)11-5-6-14(12(23)8-11)29-22(31)13(27)4-2-3-7-26;2*1-5(2,3)4/h5-6,8-9,13H,2-4,7,26-28H2,1H3,(H,29,31);2*1H3,(H,2,3,4)/t13-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
AFP-464
Common Name English
AFP464
Code English
AFP 464 [WHO-DD]
Common Name English
HEXANAMIDE, 2,6-DIAMINO-N-(4-(5-AMINO-6,8-DIFLUORO-7-METHYL-4-OXO-4H-1-BENZOPYRAN-2-YL)-2-FLUOROPHENYL)-, (2S)-, METHANESULFONATE (1:2)
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C2163
Created by admin on Sat Dec 16 07:33:12 UTC 2023 , Edited by admin on Sat Dec 16 07:33:12 UTC 2023
Code System Code Type Description
PUBCHEM
21144069
Created by admin on Sat Dec 16 07:33:12 UTC 2023 , Edited by admin on Sat Dec 16 07:33:12 UTC 2023
PRIMARY
CAS
468719-53-1
Created by admin on Sat Dec 16 07:33:12 UTC 2023 , Edited by admin on Sat Dec 16 07:33:12 UTC 2023
PRIMARY
FDA UNII
73JNH95XPX
Created by admin on Sat Dec 16 07:33:12 UTC 2023 , Edited by admin on Sat Dec 16 07:33:12 UTC 2023
PRIMARY
NCI_THESAURUS
C48370
Created by admin on Sat Dec 16 07:33:12 UTC 2023 , Edited by admin on Sat Dec 16 07:33:12 UTC 2023
PRIMARY
SMS_ID
100000174975
Created by admin on Sat Dec 16 07:33:12 UTC 2023 , Edited by admin on Sat Dec 16 07:33:12 UTC 2023
PRIMARY