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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21Cl2N3O4.2Na
Molecular Weight 472.273
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORE-1001 DISODIUM

SMILES

[Na+].[Na+].CC(C)C[C@H](N[C@@H](CC1=CN=CN1CC2=CC(Cl)=CC(Cl)=C2)C([O-])=O)C([O-])=O

InChI

InChIKey=IPWUFTSXOGIJFE-SZKOKKDDSA-L
InChI=1S/C19H23Cl2N3O4.2Na/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12;;/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28);;/q;2*+1/p-2/t16-,17-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ORE-1001 DISODIUM
Common Name English
GL-1001 DISODIUM
Common Name English
L-HISTIDINE, N-((1S)-1-CARBOXY-3-METHYLBUTYL)-3-((3,5-DICHLOROPHENYL)METHYL)-, SODIUM SALT (1:2)
Common Name English
Code System Code Type Description
FDA UNII
NW4542OSV9
Created by admin on Sat Dec 16 08:09:21 UTC 2023 , Edited by admin on Sat Dec 16 08:09:21 UTC 2023
PRIMARY
CAS
1315337-39-3
Created by admin on Sat Dec 16 08:09:21 UTC 2023 , Edited by admin on Sat Dec 16 08:09:21 UTC 2023
PRIMARY
PUBCHEM
53340876
Created by admin on Sat Dec 16 08:09:21 UTC 2023 , Edited by admin on Sat Dec 16 08:09:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID60157100
Created by admin on Sat Dec 16 08:09:21 UTC 2023 , Edited by admin on Sat Dec 16 08:09:21 UTC 2023
PRIMARY