ABACAVIR SULFATE, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	2C14H18N6O.H2O4S
Molecular Weight	670.743
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.NC1=NC2=C(N=CN2[C@@H]3C[C@H](CO)C=C3)C(NC4CC4)=N1.NC5=NC6=C(N=CN6[C@@H]7C[C@H](CO)C=C7)C(NC8CC8)=N5

InChI

InChIKey=WMHSRBZIJNQHKT-FFKFEZPRSA-N

InChI=1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C14H18N6O
Molecular Weight	286.3323
Charge	0
Count

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

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:42:45 UTC 2023` Edited by `admin` on `Sat Dec 16 09:42:45 UTC 2023`
Record UNII	1PPL256S5A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABACAVIR SULFATE, (±)-

Common Name

English

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

Systematic Name

English

ABACAVIR SULFATE (±)-

Common Name

English

ABACAVIR SULFATE RACEMIC [USP-RS]

Common Name

English

Code System Code Type Description

PUBCHEM

441384