ChemicalBook--->CAS DataBase List--->124752-25-6

124752-25-6

124752-25-6 Structure

124752-25-6 Structure
IdentificationBack Directory
[Name]

6-aminocarbovir
[CAS]

124752-25-6
[Synonyms]

6-aminocarbovir
Abacavir Impurity C
Descyclopropyl Abacavir
Abacavir amine impurity
(Abacavir EP Impurity C)
Abacavir Related CoMpound A
Abacavir Sulfate Impurity C
Descyclopropyl Abacavir (USP)
Abacavir Sulfate EP Impurity C
Abacavir USP Related Compound A
Abacavir Sulfate - Impurity C (Freebase)
Abacavir Impurity 3(Abacavir EP Impurity C)
(1α,4α)-4-(2,6-Diamino-9H-purin-9-yl)-2-cyclopentenyl-carbinol
(1S,4R)-4-(2,6-DiaMino-9H-purin-9-yl)-2-cyclopentene-1-Methanol
[(1S,4R)-4-(2,6-Diamino-9H-purin-9-yl)cyclopent-2-enyl]methanol
2-Cyclopentene-1-methanol, 4-(2,6-diamino-9H-purin-9-yl)-, (1S,4R)-
[(1S,4R)-4-(2,6-Diamino-9H-purin-9-yl)cyclopent-2-en-1- yl]methanol
2-Cyclopentene-1-methanol, 4-(2,6-diamino-9H-purin-9-yl)-, (1S-cis)-
(-)-2,6-Diamino-9-[(1R)-4β-(hydroxymethyl)-2-cyclopentene-1β-yl]-6,9-dihydro-1H-purine
Abacavir Related Compound A (20 mg) ([4-(2,6-diamino-9H-purin-9-yl)cyclopent-2-enyl]methanol)
Abacavir Related Compound A ([4-(2,6-diamino-9H-purin-9-yl)cyclopent-2-enyl]methanol) (1000420)
[Molecular Formula]

C11H14N6O
[MDL Number]

MFCD00869644
[MOL File]

124752-25-6.mol
[Molecular Weight]

246.27
Chemical PropertiesBack Directory
[Melting point ]

180-182°C
[Boiling point ]

628.2±65.0 °C(Predicted)
[density ]

1.75±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

neat
[pka]

14.86±0.10(Predicted)
[color ]

Off-White to Pale Yellow
[Major Application]

pharmaceutical
[InChI]

1S/C11H14N6O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18/h1-2,5-7,18H,3-4H2,(H4,12,13,15,16)/t6-,7+/m1/s1
[InChIKey]

ZKJUXHDSLJYKED-RQJHMYQMSA-N
[SMILES]

[n]2(c3nc(nc(c3nc2)N)N)[C@@H]1C[C@@H](C=C1)CO
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

41-43
[Safety Statements ]

26-36/37-39
[WGK Germany ]

WGK 3
[HS Code ]

2933599550
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Hazard InformationBack Directory
[Chemical Properties]

Off-White to Pale Yellow Solid
[Uses]

Abacavir Intermediate.
[Uses]

Descyclopropyl Abacavir (Abacavir EP Impurity C; Abacavir Related Compound A) is an intermediate of Abacavir (A105000). Abacavir is a carbocyclic 2''-deoxyguanosine nucleoside reverse transcriptase inhibitor and an anti-HIV drug used to treat HIV infection (1). Intracellular enzymes convert Abacavir to its active form, carbovir-triphosphate (CBV-TP), which then selectively inhibits HIV reverse transcriptase by incorporating into viral DNA (2). Abacavir is metabolized in the liver by uridine diphosphate glucuronyltransferase and alcohol dehydrogenase resulting in inactive glucuronide and carboxylate metabolites, respectively.
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