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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H39O6.Na
Molecular Weight 458.5633
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TENIVASTATIN SODIUM

SMILES

[Na+].[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)OC(=O)C(C)(C)CC

InChI

InChIKey=RLWRROYWKHUVKF-OKDJMAGBSA-M
InChI=1S/C25H40O6.Na/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);/q;+1/p-1/t15-,16-,18+,19+,20-,21-,23-;/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 C25H39O6
Molecular Weight 435.5736
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:09:44 UTC 2023
Edited
by admin
on Sat Dec 16 11:09:44 UTC 2023
Record UNII
2L6JSY5YGL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TENIVASTATIN SODIUM
Common Name English
(.BETA.R,.DELTA.R,1S,2S,6R,8S,8AR)-8-(2,2-DIMETHYL-1-OXOBUTOXY)-1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.-DIHYDROXY-2,6-DIMETHYL-1-NAPHTHALENEHEPTANOIC ACID, MONOSODIUM SALT
Systematic Name English
SIMVASTATIN, SODIUM SALT
Common Name English
1-NAPHTHALENEHEPTANOIC ACID, 8-(2,2-DIMETHYL-1-OXOBUTOXY)-1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.-DIHYDROXY-2,6-DIMETHYL-, MONOSODIUM SALT, (.BETA.R,.DELTA.R,1S,2S,6R,8S,8AR)-
Systematic Name English
SIMVASTATIN SODIUM
Common Name English
J428.165I
Code English
Code System Code Type Description
CAS
101314-97-0
Created by admin on Sat Dec 16 11:09:44 UTC 2023 , Edited by admin on Sat Dec 16 11:09:44 UTC 2023
PRIMARY
DRUG BANK
DBSALT002311
Created by admin on Sat Dec 16 11:09:44 UTC 2023 , Edited by admin on Sat Dec 16 11:09:44 UTC 2023
PRIMARY
SMS_ID
100000156650
Created by admin on Sat Dec 16 11:09:44 UTC 2023 , Edited by admin on Sat Dec 16 11:09:44 UTC 2023
PRIMARY
EVMPD
SUB130558
Created by admin on Sat Dec 16 11:09:44 UTC 2023 , Edited by admin on Sat Dec 16 11:09:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID40906052
Created by admin on Sat Dec 16 11:09:44 UTC 2023 , Edited by admin on Sat Dec 16 11:09:44 UTC 2023
PRIMARY
FDA UNII
2L6JSY5YGL
Created by admin on Sat Dec 16 11:09:44 UTC 2023 , Edited by admin on Sat Dec 16 11:09:44 UTC 2023
PRIMARY
PUBCHEM
16760655
Created by admin on Sat Dec 16 11:09:44 UTC 2023 , Edited by admin on Sat Dec 16 11:09:44 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY