U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30FN3O6S
Molecular Weight 495.564
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ROSUVASTATIN METHYL ESTER

SMILES

COC(=O)C[C@H](O)C[C@H](O)\C=C\C1=C(N=C(N=C1C(C)C)N(C)S(C)(=O)=O)C2=CC=C(F)C=C2

InChI

InChIKey=SUTPUCLJAVPJRS-NDZBKKTDSA-N
InChI=1S/C23H30FN3O6S/c1-14(2)21-19(11-10-17(28)12-18(29)13-20(30)33-4)22(15-6-8-16(24)9-7-15)26-23(25-21)27(3)34(5,31)32/h6-11,14,17-18,28-29H,12-13H2,1-5H3/b11-10+/t17-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H30FN3O6S
Molecular Weight 495.564
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 Dec 16 08:22:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:22:09 GMT 2023
Record UNII
2E76572CUD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROSUVASTATIN METHYL ESTER
Common Name English
6-HEPTENOIC ACID, 7-(4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(METHYL(METHYLSULFONYL)AMINO)-5-PYRIMIDINYL)-3,5-DIHYDROXY-, METHYL ESTER, (3R,5S,6E)-
Systematic Name English
(+)-ROSUVASTATIN METHYL ESTER
Common Name English
Code System Code Type Description
CAS
147118-40-9
Created by admin on Sat Dec 16 08:22:09 GMT 2023 , Edited by admin on Sat Dec 16 08:22:09 GMT 2023
PRIMARY
FDA UNII
2E76572CUD
Created by admin on Sat Dec 16 08:22:09 GMT 2023 , Edited by admin on Sat Dec 16 08:22:09 GMT 2023
PRIMARY
PUBCHEM
25183331
Created by admin on Sat Dec 16 08:22:09 GMT 2023 , Edited by admin on Sat Dec 16 08:22:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID90163597
Created by admin on Sat Dec 16 08:22:09 GMT 2023 , Edited by admin on Sat Dec 16 08:22:09 GMT 2023
PRIMARY