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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34FN3O7S
Molecular Weight 539.617
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (3R,5S,6E)-7-(4-(4-FLUOROPHENYL)-2-(((2-HYDROXY-2-METHYLPROPYL)SULFONYL)(METHYL)AMINO)-6-(1-METHYLETHYL)PYRIMIDIN-5-YL)-3,5-DIHYDROXYHEPT-6-ENOIC ACID

SMILES

CC(C)C1=C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)C(=NC(=N1)N(C)S(=O)(=O)CC(C)(C)O)C2=CC=C(F)C=C2

InChI

InChIKey=JYZOJCGHDNOSSR-MMKWGKFASA-N
InChI=1S/C25H34FN3O7S/c1-15(2)22-20(11-10-18(30)12-19(31)13-21(32)33)23(16-6-8-17(26)9-7-16)28-24(27-22)29(5)37(35,36)14-25(3,4)34/h6-11,15,18-19,30-31,34H,12-14H2,1-5H3,(H,32,33)/b11-10+/t18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H34FN3O7S
Molecular Weight 539.617
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 14:50:12 UTC 2023
Edited
by admin
on Sat Dec 16 14:50:12 UTC 2023
Record UNII
6HU79XG7AR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3R,5S,6E)-7-(4-(4-FLUOROPHENYL)-2-(((2-HYDROXY-2-METHYLPROPYL)SULFONYL)(METHYL)AMINO)-6-(1-METHYLETHYL)PYRIMIDIN-5-YL)-3,5-DIHYDROXYHEPT-6-ENOIC ACID
Systematic Name English
ROSUVASTATIN CALCIUM IMPURITY A [EP IMPURITY]
Common Name English
6-HEPTENOIC ACID, 7-(4-(4-FLUOROPHENYL)-2-(((2-HYDROXY-2-METHYLPROPYL)SULFONYL)METHYLAMINO)-6-(1-METHYLETHYL)-5-PYRIMIDINYL)-3,5-DIHYDROXY-, (3R,5S,6E)-
Systematic Name English
Code System Code Type Description
CAS
1715120-13-0
Created by admin on Sat Dec 16 14:50:12 UTC 2023 , Edited by admin on Sat Dec 16 14:50:12 UTC 2023
PRIMARY
PUBCHEM
71315657
Created by admin on Sat Dec 16 14:50:12 UTC 2023 , Edited by admin on Sat Dec 16 14:50:12 UTC 2023
PRIMARY
FDA UNII
6HU79XG7AR
Created by admin on Sat Dec 16 14:50:12 UTC 2023 , Edited by admin on Sat Dec 16 14:50:12 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP