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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H33ClN4O6
Molecular Weight 508.995
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BELNACASAN

SMILES

CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)C3=CC=C(N)C(Cl)=C3)C(C)(C)C

InChI

InChIKey=SJDDOCKBXFJEJB-MOKWFATOSA-N
InChI=1S/C24H33ClN4O6/c1-5-34-23-16(12-18(30)35-23)27-21(32)17-7-6-10-29(17)22(33)19(24(2,3)4)28-20(31)13-8-9-15(26)14(25)11-13/h8-9,11,16-17,19,23H,5-7,10,12,26H2,1-4H3,(H,27,32)(H,28,31)/t16-,17-,19+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H33ClN4O6
Molecular Weight 508.995
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:03:09 UTC 2023
Edited
by admin
on Sat Dec 16 18:03:09 UTC 2023
Record UNII
00OLE78529
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BELNACASAN
INN   USAN  
USAN   INN  
Official Name English
VX765
Code English
belnacasan [INN]
Common Name English
VX-765
Code English
Belnacasan [WHO-DD]
Common Name English
1-((2S)-2-(4-AMINO-3-CHLOROBENZAMIDO)-3,3-DIMETHYLBUTANOYL)-N-((2R,3S)-2-ETHOXY-5-OXOOXOLAN-3-YL)-L-PROLINAMIDE
Systematic Name English
L-PROLINAMIDE, N-(4-AMINO-3-CHLOROBENZOYL)-3-METHYL-L-VALYL-N-((2R,3S)-2-ETHOXYTETRAHYDRO-5-OXO-3-FURANYL)-
Systematic Name English
1-((2S)-2-((4-AMINO-3-CHLOROBENZOYL)AMINO)-3,3-DIMETHYLBUTANOYL)-N-((2R,3S)-2- ETHOXY-5-OXO-TETRAHYDROFURAN-3-YL)-L-PROLINAMIDE
Systematic Name English
BELNACASAN [USAN]
Common Name English
Code System Code Type Description
DRUG BANK
DB05507
Created by admin on Sat Dec 16 18:03:09 UTC 2023 , Edited by admin on Sat Dec 16 18:03:09 UTC 2023
PRIMARY
WIKIPEDIA
Belnacasan
Created by admin on Sat Dec 16 18:03:09 UTC 2023 , Edited by admin on Sat Dec 16 18:03:09 UTC 2023
PRIMARY
SMS_ID
300000034117
Created by admin on Sat Dec 16 18:03:09 UTC 2023 , Edited by admin on Sat Dec 16 18:03:09 UTC 2023
PRIMARY
ChEMBL
CHEMBL2107819
Created by admin on Sat Dec 16 18:03:09 UTC 2023 , Edited by admin on Sat Dec 16 18:03:09 UTC 2023
PRIMARY
PUBCHEM
11398092
Created by admin on Sat Dec 16 18:03:09 UTC 2023 , Edited by admin on Sat Dec 16 18:03:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID901017651
Created by admin on Sat Dec 16 18:03:09 UTC 2023 , Edited by admin on Sat Dec 16 18:03:09 UTC 2023
PRIMARY
NCI_THESAURUS
C171755
Created by admin on Sat Dec 16 18:03:09 UTC 2023 , Edited by admin on Sat Dec 16 18:03:09 UTC 2023
PRIMARY
CAS
273404-37-8
Created by admin on Sat Dec 16 18:03:09 UTC 2023 , Edited by admin on Sat Dec 16 18:03:09 UTC 2023
PRIMARY
FDA UNII
00OLE78529
Created by admin on Sat Dec 16 18:03:09 UTC 2023 , Edited by admin on Sat Dec 16 18:03:09 UTC 2023
PRIMARY
INN
9658
Created by admin on Sat Dec 16 18:03:09 UTC 2023 , Edited by admin on Sat Dec 16 18:03:09 UTC 2023
PRIMARY
USAN
ZZ-06
Created by admin on Sat Dec 16 18:03:09 UTC 2023 , Edited by admin on Sat Dec 16 18:03:09 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
ACTIVE MOIETY