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Inherent Properties, Identifiers and References
ChemSpider ID: 140919
Empirical Formula: C18H24N8O7S
Molecular Weight: 496.4976
Nominal Mass: 496 Da
Average Mass: 496.4976 Da
Monoisotopic Mass: 496.148865 Da
Quick Links: Permalink Similar Isomers
Systematic Name: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidi​n-2-one; 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2​-yl]-5-methyl-pyrimidine-2,4-dione
SMILES: O=C1\C(=C/N(C(=O)N1)[C@@H]2O[C@H](CO)[C@@H](\N=[N+]=[N-])C2)C.O=C​1/N=C(/N)\C=C/N1[C@H]2O[C@H](SC2)CO
InChI: InChI=1/C10H13N5O4.C8H11N3O3S/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-​14-11)7(4-16)19-8;9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h3,6-8,​16H,2,4H2,1H3,(H,12,17,18);1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,​8+;6-,7+/m00/s1
InChIKey: LHCOVOKZWQYODM-CPEOKENHBO
(Details...) Wikipedia Article(s)
Combivir is the brand name for a pharmaceutical treatment for HIV infection. It is a fixed dose combination of two antiretroviral drugs, lamivudine (also called 3TC, with the brand name Epivir) and zidovudine (also called AZT, with the brand name Retrovir). The combination of the two drugs has a stronger and more sustained effect than using either drug alone, and assists in reducing pill burden and in aiding compliance with the antiretroviral drug therapy. Both lamivudine and zidovudine are reverse transcriptase inhibitors, which block the action of an enzyme, reverse transcriptase, that the virus requires for reproduction. It reduces the viral load in the body and raises CD4 cell count. It was approved for use in the United States by the Food and Drug Administration on September 26, 1997, making it the thirteenth approved antiretroviral. It is marketed by GlaxoSmithKline. Read more... or Edit at Wikipedia...
Associated Data Sources and Commercial Suppliers
Names and Synonyms

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(-)-3TC &​ AZT

.beta.-L-​(-)-2',3'​-dideoxy-​3'-thiacy​tidine & ​3'-Azido-​3'-deoxyt​hymidine

1-[(2R,4S​,5S)-4-az​ido-5-(hy​droxymeth​yl)tetrah​ydrofuran​-2-yl]-5-​methylpyr​imidine-2​,4(1H,3H)​-dione - ​4-amino-1​-[(2R,5S)​-2-(hydro​xymethyl)​-1,3-oxat​hiolan-5-​yl]pyrimi​din-2(1H)​-one (1:1)

2(1H)-pyr​imidinone​, 4-amino​-1-[(2R,5​S)-2-(hyd​roxymethy​l)-1,3-ox​athiolan-​5-yl]-, c​ompd. wit​h thymidi​ne, 3'-az​ido-3'-de​oxy- (1:1)

3TC & ZDV

Epivir & ​Retrovir

Lamivudin​e & Zidov​udine

Lamivudin​e/Zidovud​ine

Mixture o​f Lamivud​ine and Z​idovudine

Thymidine​, 3'-azid​o-3'-deox​y-, mixt.​ with 4-a​mino-1-((​2R,5S)-2-​(hydroxym​ethyl)-1,​3-oxathio​lan-5-yl)​-2(1H)-py​rimidinone

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Database ID(s)

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(Details...) Predicted Properties
LogP: ACD/LogP: -0.53
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -0.53 ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 12.29 ACD/KOC (pH 7.4): 12.12
#H bond acceptors: 9 #H bond donors: 2
#Freely Rotating Bonds: 4 Polar Surface Area: 71.44 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C
(Details...) Feedback
DateSeverityStatusFeedback
5/31/2008 12:41:22 AMHighFixedConnect this structure to the Wikipedia text here: http://en.wikipedia.org/wiki/Combivir
Verdict: Connected