9-(2,5-DI-O-ACETYL-3-BROMO-3-DEOXY-.BETA.-D-XYLOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE

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

Structure Search

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

Molecular Formula	C14H15BrN4O6
Molecular Weight	415.196
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:24:49 GMT 2023` Edited by `admin` on `Sat Dec 16 10:24:49 GMT 2023`
Record UNII	4XHG1B684S
Record Status	`Validated (UNII)`
Record Version

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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

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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

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