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Velpatasvir intermediate structure, CAS 1378391-45-7

Velpatasvir intermediate

CAS Number1378391-45-7

SynonymsExact Mass 791.400635; PSA 164.00000; LogP 6.16; Index of Refraction 1.625; InChIKey DMFDIPBYFDWGGH-FABOOFKTSA-N; Synonyms

Molecular FormulaC44H53N7O7

Molecular Weight791.934

Purity

Density1.3±0.1 g/cm3

Boiling Point1045.8±65.0 °C at 760 mmHg

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Cat. No.: 2A-1168434 Purity:
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Quality Control of [ 1378391-45-7 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number1378391-45-7
Catalog No.2A-1168434
Chinese Name维帕他韦中间体
SynonymsExact Mass 791.400635; PSA 164.00000; LogP 6.16; Index of Refraction 1.625; InChIKey DMFDIPBYFDWGGH-FABOOFKTSA-N; Synonyms
Molecular FormulaC44H53N7O7
Molecular Weight791.934
Density1.3±0.1 g/cm3
Boiling Point1045.8±65.0 °C at 760 mmHg
PubChem ID224682819
SMILESCOCC1CC(c2ncc(-c3ccc4c(c3)COc3cc5c(ccc6[nH]c(C7CCC(C)N7C(=O)C(NC(=O)OC)C(C)C)nc65)cc3-4)[nH]2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C44H53N7O7/c1-23(2)37(49-42(53)56-8)41(52)51-24(3)9-14-34(51)40-46-32-13-11-26-17-31-29-12-10-27(16-28(29)22-57-36(31)18-30(26)38(32)48-40)33-19-45-39(47-33)35-15-25(21-55-7)20-50(35)43(54)58-44(4,5)6/h10-13,16-19,23-25,34-35,37H,9,14-15,20-22H2,1-8H3,(H,45,47)(H,46,48)(H,49,53)/t24-,25-,34-,35-,37-/m0/s1
InChI KeyDMFDIPBYFDWGGH-FABOOFKTSA-N
Transport InfoProduct name: (2S,4S)-2-[5-[1,11-dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2 -Pyrrolidinyl][2]benzopyrano[4',3':6,7]naphtho[1,2-d]imidazol-9-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
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