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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H36O8
Molecular Weight 440.5271
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXYPRAVASTATIN, (S)-

SMILES

[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)[C@H](C)O

InChI

InChIKey=ASZMMNUWSMFMJO-FBIVGABFSA-N
InChI=1S/C23H36O8/c1-12-4-5-15-8-17(26)10-20(31-23(30)13(2)14(3)24)22(15)19(12)7-6-16(25)9-18(27)11-21(28)29/h4-5,8,12-14,16-20,22,24-27H,6-7,9-11H2,1-3H3,(H,28,29)/t12-,13-,14-,16+,17+,18+,19-,20-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H36O8
Molecular Weight 440.5271
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:43:07 UTC 2023
Edited
by admin
on Sat Dec 16 08:43:07 UTC 2023
Record UNII
906EM34IX1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXYPRAVASTATIN, (S)-
Common Name English
3''-(S)-HYDROXYPRAVASTATIN
Common Name English
1-NAPHTHALENEHEPTANOIC ACID, 1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.,6-TRIHYDROXY-8-((2S,3S)-3-HYDROXY-2-METHYL-1-OXOBUTOXY)-2-METHYL-, (.BETA.R,.DELTA.R,1S,2S,6S,8S,8AR)-
Systematic Name English
PRAVASTATIN SODIUM IMPURITY E [EP IMPURITY]
Common Name English
(3R,5R)-3,5-DIHYDROXY-7-((1S,2S,6S,8S,8AR)-6-HYDROXY-8-(((2S,3S)3-HYDROXY-2-METHYLBUTANOYL)OXY)-2-METHYL-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)HEPTANOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
11305255
Created by admin on Sat Dec 16 08:43:08 UTC 2023 , Edited by admin on Sat Dec 16 08:43:08 UTC 2023
PRIMARY
FDA UNII
906EM34IX1
Created by admin on Sat Dec 16 08:43:08 UTC 2023 , Edited by admin on Sat Dec 16 08:43:08 UTC 2023
PRIMARY
CAS
136657-41-5
Created by admin on Sat Dec 16 08:43:08 UTC 2023 , Edited by admin on Sat Dec 16 08:43:08 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP