ABACAVIR, (1R,4R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H18N6O
Molecular Weight	286.3323
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC2=C(N=CN2[C@@H]3C[C@@H](CO)C=C3)C(NC4CC4)=N1

InChI

InChIKey=MCGSCOLBFJQGHM-WPRPVWTQSA-N

InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C14H18N6O
Molecular Weight	286.3323
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://www.chemicalbook.com/ChemicalProductProperty_EN_CB22551571.htm | https://www.accessdata.fda.gov/drugsatfda_docs/label/2008/020977s019,020978s022lbl.pdf

Trans-abacavir is the trans-isomer of abacavir, considered to be abacavir USP impurity. Abacavir, a nucleoside analog, is indicated in combination with other antiretroviral agents for the treatment of HIV-1 infection.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:42:22 UTC 2023` Edited by `admin` on `Sat Dec 16 09:42:22 UTC 2023`
Record UNII	6BVN3YCO99
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABACAVIR, (1R,4R)-

Common Name

English

2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-, (1R,4R)-

Systematic Name

English

((1R,4R)-4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)CYCLOPENT-2-ENYL)METHANOL

Systematic Name

English

ABACAVIR SULFATE IMPURITY D [EP IMPURITY]

Common Name

English

TRANS-ABACAVIR R,R-

Common Name

English

TRANS-ABACAVIR [USP IMPURITY]

Common Name

English

ABACAVIR SULFATE IMPURITY D [WHO-IP]

Common Name

English

4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)CYCLOPENT-2-ENYL) METHANOL, (1R,4R)-TRANS-

Systematic Name

English

TRANS-ABACAVIR

Common Name

English

(1R,4R)-TRANS-4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)CYCLOPENT-2-ENYL) METHANOL

Common Name

English

Code System Code Type Description

FDA UNII

6BVN3YCO99

Created by admin on Sat Dec 16 09:42:22 UTC 2023 , Edited by admin on Sat Dec 16 09:42:22 UTC 2023

PRIMARY

PUBCHEM

10660866

Created by admin on Sat Dec 16 09:42:22 UTC 2023 , Edited by admin on Sat Dec 16 09:42:22 UTC 2023

PRIMARY

CAS

1443421-67-7

Created by admin on Sat Dec 16 09:42:22 UTC 2023 , Edited by admin on Sat Dec 16 09:42:22 UTC 2023

PRIMARY

Related Record Type Details


					J220T4J9Q2

ABACAVIR SULFATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					J220T4J9Q2

ABACAVIR SULFATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

Details

SMILES

InChI

DescriptionSources: http://www.chemicalbook.com/ChemicalProductProperty_EN_CB22551571.htm | https://www.accessdata.fda.gov/drugsatfda_docs/label/2008/020977s019,020978s022lbl.pdf

Approval Year

Conditions

Sample Use Guides

Description
Sources: http://www.chemicalbook.com/ChemicalProductProperty_EN_CB22551571.htm | https://www.accessdata.fda.gov/drugsatfda_docs/label/2008/020977s019,020978s022lbl.pdf