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Details

Stereochemistry ABSOLUTE
Molecular Formula C50H76O10
Molecular Weight 837.1324
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SIMVASTATIN DIMER

SMILES

[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H]3C[C@@H](CC[C@H]4[C@@H](C)C=CC5=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]45[H])OC(=O)C3)OC(=O)C(C)(C)CC

InChI

InChIKey=GUEULYYYHDURDF-CWZAOXTASA-N
InChI=1S/C50H76O10/c1-11-49(7,8)47(55)59-41-23-29(3)21-33-15-13-31(5)39(45(33)41)19-17-35(51)25-36(52)26-43(53)58-38-27-37(57-44(54)28-38)18-20-40-32(6)14-16-34-22-30(4)24-42(46(34)40)60-48(56)50(9,10)12-2/h13-16,21-22,29-32,35-42,45-46,51-52H,11-12,17-20,23-28H2,1-10H3/t29-,30-,31-,32-,35+,36+,37+,38+,39-,40-,41-,42-,45-,46-/m0/s1

HIDE SMILES / InChI

Molecular Formula C50H76O10
Molecular Weight 837.1324
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:59:11 UTC 2023
Edited
by admin
on Sat Dec 16 07:59:11 UTC 2023
Record UNII
0OC7Z384H2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SIMVASTATIN DIMER
Common Name English
SIMVASTATIN IMPURITY, SIMVASTATIN DIMER- [USP IMPURITY]
Common Name English
SIMVASTATIN IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
0OC7Z384H2
Created by admin on Sat Dec 16 07:59:11 UTC 2023 , Edited by admin on Sat Dec 16 07:59:11 UTC 2023
PRIMARY
PUBCHEM
46782920
Created by admin on Sat Dec 16 07:59:11 UTC 2023 , Edited by admin on Sat Dec 16 07:59:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID60197228
Created by admin on Sat Dec 16 07:59:11 UTC 2023 , Edited by admin on Sat Dec 16 07:59:11 UTC 2023
PRIMARY
CAS
476305-24-5
Created by admin on Sat Dec 16 07:59:11 UTC 2023 , Edited by admin on Sat Dec 16 07:59:11 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP