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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12BrN3O4
Molecular Weight 306.113
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROMODEOXYCYTIDINE

SMILES

NC1=NC(=O)N(C=C1Br)[C@H]2C[C@H](O)[C@@H](CO)O2

InChI

InChIKey=KISUPFXQEHWGAR-RRKCRQDMSA-N
InChI=1S/C9H12BrN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H12BrN3O4
Molecular Weight 306.113
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Reaction of 2'-deoxycytidine with peroxynitrite in the presence of ammonium bromide.
2008 May 1
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:13:34 GMT 2023
Edited
by admin
on Sat Dec 16 08:13:34 GMT 2023
Record UNII
6M3TP1AIBH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROMODEOXYCYTIDINE
Systematic Name English
4-AMINO-5-BROMO-1-((2R,4S,5R)-4-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL)PYRIMIDIN-2-ONE
Systematic Name English
5-BROMO-2'-DEOXYCYTIDINE
Systematic Name English
5-BROMODEOXYCYTIDINE
Systematic Name English
NSC-61765
Code English
Code System Code Type Description
PUBCHEM
472175
Created by admin on Sat Dec 16 08:13:34 GMT 2023 , Edited by admin on Sat Dec 16 08:13:34 GMT 2023
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FDA UNII
6M3TP1AIBH
Created by admin on Sat Dec 16 08:13:34 GMT 2023 , Edited by admin on Sat Dec 16 08:13:34 GMT 2023
PRIMARY
CAS
1022-79-3
Created by admin on Sat Dec 16 08:13:34 GMT 2023 , Edited by admin on Sat Dec 16 08:13:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
213-824-2
Created by admin on Sat Dec 16 08:13:34 GMT 2023 , Edited by admin on Sat Dec 16 08:13:34 GMT 2023
PRIMARY
NSC
61765
Created by admin on Sat Dec 16 08:13:34 GMT 2023 , Edited by admin on Sat Dec 16 08:13:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID30907194
Created by admin on Sat Dec 16 08:13:34 GMT 2023 , Edited by admin on Sat Dec 16 08:13:34 GMT 2023
PRIMARY