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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H15BrN4O6
Molecular Weight 415.196
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-(2,5-DI-O-ACETYL-3-BROMO-3-DEOXY-.BETA.-D-XYLOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE

SMILES

CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@H]1Br)N2C=NC3=C2N=CNC3=O

InChI

InChIKey=ZTAKVKMLLYGITM-SZRLZVLASA-N
InChI=1S/C14H15BrN4O6/c1-6(20)23-3-8-9(15)11(24-7(2)21)14(25-8)19-5-18-10-12(19)16-4-17-13(10)22/h4-5,8-9,11,14H,3H2,1-2H3,(H,16,17,22)/t8-,9+,11-,14-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
9-(2,5-DI-O-ACETYL-3-BROMO-3-DEOXY-.BETA.-D-XYLOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE
Common Name English
BROMOESTER 2
Common Name English
6H-PURIN-6-ONE, 9-(2,5-DI-O-ACETYL-3-BROMO-3-DEOXY-.BETA.-D-XYLOFURANOSYL)-1,9-DIHYDRO-
Systematic Name English
DIDANOSINE IMPURITY M BROMOESTER 2
Common Name English
Code System Code Type Description
FDA UNII
4XHG1B684S
Created by admin on Sat Dec 16 10:24:49 GMT 2023 , Edited by admin on Sat Dec 16 10:24:49 GMT 2023
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CAS
125790-82-1
Created by admin on Sat Dec 16 10:24:49 GMT 2023 , Edited by admin on Sat Dec 16 10:24:49 GMT 2023
PRIMARY
PUBCHEM
135465663
Created by admin on Sat Dec 16 10:24:49 GMT 2023 , Edited by admin on Sat Dec 16 10:24:49 GMT 2023
PRIMARY