TAPROSTENE SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H29O5.Na
Molecular Weight	420.4738
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C3CCCCC3)[C@@]1([H])C\C(O2)=C\C4=CC=CC(=C4)C([O-])=O

InChI

InChIKey=KPQVOJYDUCZQEQ-REHYUDDHSA-M

InChI=1S/C24H30O5.Na/c25-21(16-6-2-1-3-7-16)10-9-19-20-13-18(29-23(20)14-22(19)26)12-15-5-4-8-17(11-15)24(27)28;/h4-5,8-12,16,19-23,25-26H,1-3,6-7,13-14H2,(H,27,28);/q;+1/p-1/b10-9+,18-12-;/t19-,20-,21-,22-,23+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C24H29O5
Molecular Weight	397.4841
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:05:23 UTC 2023` Edited by `admin` on `Sat Dec 16 10:05:23 UTC 2023`
Record UNII	3M078713KZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAPROSTENE SODIUM

Common Name

English

TAPROSTENE SODIUM SALT

Common Name

English

CG-4203

Code

English

SE-63

Code

English

BENZOIC ACID, 3-((Z)-((3AR,4R,5R,6AS)-4-((1E,3S)-3-CYCLOHEXYL-3-HYDROXY-1-PROPENYL)HEXAHYDRO-5-HYDROXY-2H-CYCLOPENTA(B)FURAN-2-YLIDENE)METHYL)-, MONOSODIUM SALT

Systematic Name

English

RHEOCYCLAN

Brand Name

English

TAPROSTENE SODIUM SALT [MI]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID9049033