Vytorin

CAS Registry Number®

444313-53-5

CAS Name

Vytorin

Molecular Formula

C25H38O5.C24H21F2NO3

Cite this Page

Vytorin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=444313-53-5 (retrieved 2024-11-21) (CAS RN: 444313-53-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H38O5.C24H21F2NO3/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19;25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3;1-12,21-23,28-29H,13-14H2/t15-,16-,18+,19+,20-,21-,23-;21-,22+,23-/m01/s1

InChIKey

InChIKey=PNAMDJVUJCJOIX-IUNFJCKHSA-N

SMILES

C(C[C@H](O)C1=CC=C(F)C=C1)[C@@H]2[C@H](N(C2=O)C3=CC=C(F)C=C3)C4=CC=C(O)C=C4.O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@@H]3C[C@@H](O)CC(=O)O3)=C[C@H](C)C1)[H]

Canonical SMILES

O=C1OC(CCC2C(C=CC3=CC(C)CC(OC(=O)C(C)(C)CC)C32)C)CC(O)C1.O=C1N(C2=CC=C(F)C=C2)C(C3=CC=C(O)C=C3)C1CCC(O)C4=CC=C(F)C=C4

Other Names for this Substance

  • Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, mixt. with (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone
  • Vytorin
  • Inegy
  • Simvotin EZ
  • Starstat

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration