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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H31FNO5
Molecular Weight 444.5167
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge -1

SHOW SMILES / InChI
Structure of O-DESMETHYL-CERIVASTATIN

SMILES

CC(C)c1c(/C(/[H])=C(\[H])/[C@]([H])(C[C@]([H])(CC(=O)[O-])O)O)c(-c2ccc(cc2)F)c(CO)c(C(C)C)n1

InChI

InChIKey=KUWDGQVSBKGOIJ-BGGMYYEUSA-M
InChI=1S/C25H32FNO5/c1-14(2)24-20(10-9-18(29)11-19(30)12-22(31)32)23(16-5-7-17(26)8-6-16)21(13-28)25(27-24)15(3)4/h5-10,14-15,18-19,28-30H,11-13H2,1-4H3,(H,31,32)/p-1/b10-9+/t18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H32FNO5
Molecular Weight 445.5246
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 09:20:05 UTC 2021
Edited
by admin
on Sat Jun 26 09:20:05 UTC 2021
Record UNII
OH43LBZISH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DESMETHYL-CERIVASTATIN
Common Name English
O-DESMETHYL-CERIVASTATIN METABOLITE M1
Common Name English
(E,3R,5S)-7-(4-(4-FLUOROPHENYL)-5-(HYDROXYMETHYL)-2,6-DIISOPROPYL-3-PYRIDYL)-3,5-DIHYDROXY-HEPT-6-ENOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
29977427
Created by admin on Sat Jun 26 09:20:06 UTC 2021 , Edited by admin on Sat Jun 26 09:20:06 UTC 2021
PRIMARY
CAS
189060-49-9
Created by admin on Sat Jun 26 09:20:06 UTC 2021 , Edited by admin on Sat Jun 26 09:20:06 UTC 2021
PRIMARY
FDA UNII
OH43LBZISH
Created by admin on Sat Jun 26 09:20:06 UTC 2021 , Edited by admin on Sat Jun 26 09:20:06 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
CYP2C8 accounts for up to 60% of cerivastatin?s oxidation