Cobicistat

CAS Registry Number®

1004316-88-4
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CAS Name

Cobicistat

Molecular Formula

C40H53N7O5S2

Molecular Mass

776.02

Cite this Page

Cobicistat.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1004316-88-4 (retrieved 2024-07-16) (CAS RN: 1004316-88-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1

InChIKey

InChIKey=ZCIGNRJZKPOIKD-CQXVEOKZSA-N

SMILES

[C@@H](CC1=CC=CC=C1)(NC([C@H](CCN2CCOCC2)NC(N(CC=3N=C(C(C)C)SC3)C)=O)=O)CC[C@H](CC4=CC=CC=C4)NC(OCC5=CN=CS5)=O

Canonical SMILES

O=C(OCC=1SC=NC1)NC(CC=2C=CC=CC2)CCC(NC(=O)C(NC(=O)N(C)CC=3N=C(SC3)C(C)C)CCN4CCOCC4)CC=5C=CC=CC5

Other Names for this Substance

  • 2,7,10,12-Tetraazatridecanoic acid, 12-methyl-13-[2-(1-methylethyl)-4-thiazolyl]-9-[2-(4-morpholinyl)ethyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3R,6R,9S)-
  • Cobicistat
  • GS 9350
  • Tybost