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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H15N5O5.ClH
Molecular Weight 345.739
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL ADENOSINE-5'-CARBOXYLATE HYDROCHLORIDE

SMILES

Cl.CCOC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=CN=C3N

InChI

InChIKey=ZVHKBPIFLBGJIL-RZDNRXEISA-N
InChI=1S/C12H15N5O5.ClH/c1-2-21-12(20)8-6(18)7(19)11(22-8)17-4-16-5-9(13)14-3-15-10(5)17;/h3-4,6-8,11,18-19H,2H2,1H3,(H2,13,14,15);1H/t6-,7+,8-,11+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ETHYL ADENOSINE-5'-CARBOXYLATE HYDROCHLORIDE
Systematic Name English
A-40557
Code English
NSC-161519
Code English
ADENOSINE-5'-ETHYL CARBOXYLATE HYDROCHLORIDE
Systematic Name English
.BETA.-D-RIBOFURANURONIC ACID, 1-(6-AMINO-9H-PURIN-9-YL)-1-DEOXY-, ETHYL ESTER, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
NSC
161519
Created by admin on Fri Dec 15 15:34:05 GMT 2023 , Edited by admin on Fri Dec 15 15:34:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID50964901
Created by admin on Fri Dec 15 15:34:05 GMT 2023 , Edited by admin on Fri Dec 15 15:34:05 GMT 2023
PRIMARY
ECHA (EC/EINECS)
256-695-8
Created by admin on Fri Dec 15 15:34:05 GMT 2023 , Edited by admin on Fri Dec 15 15:34:05 GMT 2023
PRIMARY
CAS
50663-70-2
Created by admin on Fri Dec 15 15:34:05 GMT 2023 , Edited by admin on Fri Dec 15 15:34:05 GMT 2023
PRIMARY
CAS
41110-76-3
Created by admin on Fri Dec 15 15:34:05 GMT 2023 , Edited by admin on Fri Dec 15 15:34:05 GMT 2023
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
10427685
Created by admin on Fri Dec 15 15:34:05 GMT 2023 , Edited by admin on Fri Dec 15 15:34:05 GMT 2023
PRIMARY
FDA UNII
3P5WC0Z61B
Created by admin on Fri Dec 15 15:34:05 GMT 2023 , Edited by admin on Fri Dec 15 15:34:05 GMT 2023
PRIMARY