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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H16ClN3O4
Molecular Weight 289.715
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(2-CHLOROETHYL)-2'-DEOXYCYTIDINE

SMILES

NC1=NC(=O)N(C=C1CCCl)[C@H]2C[C@H](O)[C@@H](CO)O2

InChI

InChIKey=KQDWMXVMXQCPIZ-DJLDLDEBSA-N
InChI=1S/C11H16ClN3O4/c12-2-1-6-4-15(11(18)14-10(6)13)9-3-7(17)8(5-16)19-9/h4,7-9,16-17H,1-3,5H2,(H2,13,14,18)/t7-,8+,9+/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H16ClN3O4
Molecular Weight 289.715
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:13:18 GMT 2023
Edited
by admin
on Sat Dec 16 08:13:18 GMT 2023
Record UNII
502UA39973
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(2-CHLOROETHYL)-2'-DEOXYCYTIDINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00238088
Created by admin on Sat Dec 16 08:13:18 GMT 2023 , Edited by admin on Sat Dec 16 08:13:18 GMT 2023
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FDA UNII
502UA39973
Created by admin on Sat Dec 16 08:13:18 GMT 2023 , Edited by admin on Sat Dec 16 08:13:18 GMT 2023
PRIMARY
CAS
90301-75-0
Created by admin on Sat Dec 16 08:13:18 GMT 2023 , Edited by admin on Sat Dec 16 08:13:18 GMT 2023
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PUBCHEM
151864
Created by admin on Sat Dec 16 08:13:18 GMT 2023 , Edited by admin on Sat Dec 16 08:13:18 GMT 2023
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