(S)-3''-HYDROXY PRAVASTATIN SODIUM

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 (S)-3''-HYDROXY PRAVASTATIN SODIUM

Structure Search

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-FVDQBCLRSA-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 18:47:27 UTC 2023` Edited by `admin` on `Sat Dec 16 18:47:27 UTC 2023`
Record UNII	TUA7DDU7A5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-3''-HYDROXY PRAVASTATIN SODIUM

Common Name

English

PRAVASTATIN EP IMPURITY E (SODIUM)

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-, SODIUM SALT (1:1), (.BETA.R,.DELTA.R,1S,2S,6S,8S,8AR)-

Systematic 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-, MONOSODIUM SALT, (.BETA.R,.DELTA.R,1S,2S,6S,8S,8AR)-

Systematic Name

English

Code System Code Type Description

CAS

722504-45-2

Created by admin on Sat Dec 16 18:47:27 UTC 2023 , Edited by admin on Sat Dec 16 18:47:27 UTC 2023

PRIMARY

EPA CompTox

DTXSID90729859

Created by admin on Sat Dec 16 18:47:27 UTC 2023 , Edited by admin on Sat Dec 16 18:47:27 UTC 2023

PRIMARY

PUBCHEM

58746967

Created by admin on Sat Dec 16 18:47:27 UTC 2023 , Edited by admin on Sat Dec 16 18:47:27 UTC 2023

PRIMARY

FDA UNII

TUA7DDU7A5

Created by admin on Sat Dec 16 18:47:27 UTC 2023 , Edited by admin on Sat Dec 16 18:47:27 UTC 2023

PRIMARY

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