MK 5172 hydrate structure, CAS 1350462-55-3

MK 5172 hydrate

CAS Number1350462-55-3

SynonymsCS-1376; MK 5172 hydrate; MK-5172 (hydrate)

Molecular FormulaC38H52O10N6S1

Molecular Weight784.93

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Cat. No.: 2A-3186648 Purity:
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Quality Control of [ 1350462-55-3 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number1350462-55-3
Catalog No.2A-3186648
Chinese Name阿那匹韦
SynonymsCS-1376; MK 5172 hydrate; MK-5172 (hydrate)
Molecular FormulaC38H52O10N6S1
Molecular Weight784.93
Storage Condition-20°C, sealed, dry
ApplicationGrazoprevir hydrate (MK-5172 hydrate) is a selective hepatitis C virus NS3/4a protease inhibitor with Ki of 0.01 nM, 0.01 nM, 0.08 nM, 0.15 nM and 0.90 nM for gt1b, gt1a, gt2a, gt2b and gt3a respectiv
PubChem ID85332785
MDL NumberMFCD25976702
SMILESC=CC1CC1(NC(=O)C1CC2CN1C(=O)C(C(C)(C)C)NC(=O)OC1CC1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1.O
InChIInChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1
InChI KeyRXSARIJMSJWJLZ-FWLBVHGESA-N
Transport InfoProduct name: Grazoprevir hydrate
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