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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H35O8.Na
Molecular Weight 462.509
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (R)-3''-HYDROXY PRAVASTATIN SODIUM

SMILES

[Na+].[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=AIKHPBQZWYYTKO-OYKXKHFWSA-M
InChI=1S/C23H36O8.Na/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);/q;+1/p-1/t12-,13-,14+,16+,17+,18+,19-,20-,22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C23H35O8
Molecular Weight 439.5192
Charge -1
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 10:32:34 GMT 2023
Edited
by admin
on Sat Dec 16 10:32:34 GMT 2023
Record UNII
NW96MX2PQY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(R)-3''-HYDROXY PRAVASTATIN SODIUM
Common Name English
1-NAPHTHALENEHEPTANOIC ACID, 1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.,6-TRIHYDROXY-8-((2S,3R)-3-HYDROXY-2-METHYL-1-OXOBUTOXY)-2-METHYL-, SODIUM SALT (1:1), (.BETA.R,.DELTA.R,1S,2S,6S,8S,8AR)-
Systematic Name English
Code System Code Type Description
FDA UNII
NW96MX2PQY
Created by admin on Sat Dec 16 10:32:34 GMT 2023 , Edited by admin on Sat Dec 16 10:32:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID00729860
Created by admin on Sat Dec 16 10:32:34 GMT 2023 , Edited by admin on Sat Dec 16 10:32:34 GMT 2023
PRIMARY
PUBCHEM
58746974
Created by admin on Sat Dec 16 10:32:34 GMT 2023 , Edited by admin on Sat Dec 16 10:32:34 GMT 2023
PRIMARY
CAS
722504-46-3
Created by admin on Sat Dec 16 10:32:34 GMT 2023 , Edited by admin on Sat Dec 16 10:32:34 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE