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Details

Stereochemistry RACEMIC
Molecular Formula C20H14N5O5.Na
Molecular Weight 427.3454
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CROMITRILE SODIUM

SMILES

[Na+].OC(COC1=CC=C(C=C1)C#N)COC2=CC=CC3=C2C(=O)C=C(O3)C4=NN=N[N-]4

InChI

InChIKey=DRMAOJOMESIGKD-UHFFFAOYSA-M
InChI=1S/C20H15N5O5.Na/c21-9-12-4-6-14(7-5-12)28-10-13(26)11-29-16-2-1-3-17-19(16)15(27)8-18(30-17)20-22-24-25-23-20;/h1-8,13,26H,10-11H2,(H,22,23,24,25,27);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
CROMITRILE SODIUM
USAN  
USAN  
Official Name English
(±)-P-(2-HYDROXY-3-((4-OXO-2-(1H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-5-YL)OXY)PROPOXY)BENZONITRILE MONOSODIUM SALT
Common Name English
CROMITRILE SODIUM [USAN]
Common Name English
TR-2855
Code English
BENZONITRILE, 4-(2-HYDROXY-3-((4-OXO-2-(1H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-5-YL)OXY)PROPOXY)-, MONOSODIUM SALT, (±)-
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29712
Created by admin on Fri Dec 15 15:07:16 UTC 2023 , Edited by admin on Fri Dec 15 15:07:16 UTC 2023
Code System Code Type Description
FDA UNII
Z9FYZ8P9ND
Created by admin on Fri Dec 15 15:07:16 UTC 2023 , Edited by admin on Fri Dec 15 15:07:16 UTC 2023
PRIMARY
PUBCHEM
23675006
Created by admin on Fri Dec 15 15:07:16 UTC 2023 , Edited by admin on Fri Dec 15 15:07:16 UTC 2023
PRIMARY
NCI_THESAURUS
C81438
Created by admin on Fri Dec 15 15:07:16 UTC 2023 , Edited by admin on Fri Dec 15 15:07:16 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110795
Created by admin on Fri Dec 15 15:07:16 UTC 2023 , Edited by admin on Fri Dec 15 15:07:16 UTC 2023
PRIMARY
CAS
53736-52-0
Created by admin on Fri Dec 15 15:07:16 UTC 2023 , Edited by admin on Fri Dec 15 15:07:16 UTC 2023
PRIMARY