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Darunavir-[d9]

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Darunavir-[d9]

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General Information
Catalog: BLP-012299
CAS: 1133378-37-6
Molecular Formula: C27H28D9N3O7S
Molecular Weight: 556.72

Chemical Structure

Description	Darunavir-[d9] is a labelled Darunavir. Darunavir is an antiretroviral medication for the prevention of HIV/AIDS.
Synonyms	Darunavir D9
IUPAC Name	[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CAS	206361-99-1 (unlabelled)
Canonical SMILES	CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
InChI	InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1/i1D3,2D3,15D2,18D
InChI Key	CJBJHOAVZSMMDJ-SYUAEXFJSA-N
Melting Point	74-76°C
Purity	95% by HPLC; 95% atom D
Solubility	Soluble in Chloroform, Methanol
Appearance	Off-White to Plae Yellow Solid
Storage	Store at -20°C