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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H32Cl3N3O4
Molecular Weight 604.952
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALATEGRAST

SMILES

CCN(CC)CCOC(=O)[C@H](CC1=CC=C(NC(=O)C2=C(Cl)C=CC=C2Cl)C=C1)NC(=O)C3=C(C)C=CC=C3Cl

InChI

InChIKey=VZVNFRFMDNFPOM-VWLOTQADSA-N
InChI=1S/C30H32Cl3N3O4/c1-4-36(5-2)16-17-40-30(39)25(35-28(37)26-19(3)8-6-9-22(26)31)18-20-12-14-21(15-13-20)34-29(38)27-23(32)10-7-11-24(27)33/h6-15,25H,4-5,16-18H2,1-3H3,(H,34,38)(H,35,37)/t25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
VALATEGRAST
INN  
INN  
Official Name English
L-PHENYLALANINE,N-(2-CHLORO-6-METHYLBENZOYL)-4-((2,6-DICHLOROBENZOYL)AMINO)-,2-(DIETHYLAMINO)ETHYL ESTER
Common Name English
RO0272441
Code English
RO-0272441
Code English
2-(DIETHYLAMINO)ETHYL N-(2-CHLORO-6-METHYLBENZOYL)-4-((2,6-DICHLOROBENZOYL)AMINO)-L-PHENYLALANINATE
Systematic Name English
valategrast [INN]
Common Name English
R-411 FREE BASE
Code English
R411 FREE BASE
Code English
Classification Tree Code System Code
NCI_THESAURUS C2144
Created by admin on Fri Dec 15 16:02:05 UTC 2023 , Edited by admin on Fri Dec 15 16:02:05 UTC 2023
NCI_THESAURUS C29712
Created by admin on Fri Dec 15 16:02:05 UTC 2023 , Edited by admin on Fri Dec 15 16:02:05 UTC 2023
Code System Code Type Description
SMS_ID
300000034429
Created by admin on Fri Dec 15 16:02:05 UTC 2023 , Edited by admin on Fri Dec 15 16:02:05 UTC 2023
PRIMARY
INN
8541
Created by admin on Fri Dec 15 16:02:05 UTC 2023 , Edited by admin on Fri Dec 15 16:02:05 UTC 2023
PRIMARY
FDA UNII
06DM4KX7JG
Created by admin on Fri Dec 15 16:02:05 UTC 2023 , Edited by admin on Fri Dec 15 16:02:05 UTC 2023
PRIMARY
CAS
220847-86-9
Created by admin on Fri Dec 15 16:02:05 UTC 2023 , Edited by admin on Fri Dec 15 16:02:05 UTC 2023
PRIMARY
NCI_THESAURUS
C152814
Created by admin on Fri Dec 15 16:02:05 UTC 2023 , Edited by admin on Fri Dec 15 16:02:05 UTC 2023
PRIMARY
ChEMBL
CHEMBL2107792
Created by admin on Fri Dec 15 16:02:05 UTC 2023 , Edited by admin on Fri Dec 15 16:02:05 UTC 2023
PRIMARY
PUBCHEM
11563636
Created by admin on Fri Dec 15 16:02:05 UTC 2023 , Edited by admin on Fri Dec 15 16:02:05 UTC 2023
PRIMARY