ENTECAVIR 3-EPIMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H15N5O3
Molecular Weight	277.2792
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC2=C(N=CN2[C@H]3C[C@H](O)[C@H](CO)C3=C)C(=O)N1

InChI

InChIKey=QDGZDCVAUDNJFG-CSMHCCOUSA-N

InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7+,8+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C12H15N5O3
Molecular Weight	277.2792
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 16:40:52 UTC 2023` Edited by `admin` on `Sat Dec 16 16:40:52 UTC 2023`
Record UNII	FD1LY3K97F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENTECAVIR 3-EPIMER

Common Name

English

ENTECAVIR MONOHYDRATE IMPURITY B [EP IMPURITY]

Common Name

English

2-AMINO-1,9-DIHYDRO-9-((1S,3S,4S)-4-HYDROXY-3-(HYDROXYMETHYL)-2-METHYLENECYCLOPENTYL)-6H-PURIN-6-ONE

Systematic Name

English

6H-PURIN-6-ONE, 2-AMINO-1,9-DIHYDRO-9-((1S,3S,4S)-4-HYDROXY-3-(HYDROXYMETHYL)-2-METHYLENECYCLOPENTYL)-

Systematic Name

English

9-((1S,3S,4S)-4-HYDROXY-3-(HYDROXYMETHYL)-2-METHYLENECYCLOPENTYL)GUANINE

Systematic Name

English

ENTECAVIR 3-EPIMER [USP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

FD1LY3K97F

Created by admin on Sat Dec 16 16:40:52 UTC 2023 , Edited by admin on Sat Dec 16 16:40:52 UTC 2023

PRIMARY

CAS

1367369-77-4

Created by admin on Sat Dec 16 16:40:52 UTC 2023 , Edited by admin on Sat Dec 16 16:40:52 UTC 2023

PRIMARY

PUBCHEM

136217872

Created by admin on Sat Dec 16 16:40:52 UTC 2023 , Edited by admin on Sat Dec 16 16:40:52 UTC 2023

PRIMARY

Related Record Type Details


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ENTECAVIR

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: