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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H22ClN5O2S
Molecular Weight 467.971
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC1=NN=C2CN=C(C3=C(SC4=C3C[C@@H](C4)C(=O)N5CCOCC5)N12)C6=CC=CC=C6Cl

InChI

InChIKey=FWYVRZOREBYLCY-AWEZNQCLSA-N
InChI=1S/C23H22ClN5O2S/c1-13-26-27-19-12-25-21(15-4-2-3-5-17(15)24)20-16-10-14(11-18(16)32-23(20)29(13)19)22(30)28-6-8-31-9-7-28/h2-5,14H,6-12H2,1H3/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H22ClN5O2S
Molecular Weight 467.971
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 01:41:18 GMT 2023
Edited
by admin
on Sat Dec 16 01:41:18 GMT 2023
Record UNII
9XY29AE2W1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BEPAFANT, (S)-
Common Name English
MORPHOLINE, 4-((6-(2-CHLOROPHENYL)-8,9-DIHYDRO-1-METHYL-4H,7H-CYCLOPENTA(4,5)THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPIN-8-YL)CARBONYL)-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
14071228
Created by admin on Sat Dec 16 01:41:18 GMT 2023 , Edited by admin on Sat Dec 16 01:41:18 GMT 2023
PRIMARY
CAS
114800-15-6
Created by admin on Sat Dec 16 01:41:18 GMT 2023 , Edited by admin on Sat Dec 16 01:41:18 GMT 2023
PRIMARY
FDA UNII
9XY29AE2W1
Created by admin on Sat Dec 16 01:41:18 GMT 2023 , Edited by admin on Sat Dec 16 01:41:18 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER