SODIUM TANSHINONE IIA SULFONATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H17O6S.Na
Molecular Weight	396.389
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM TANSHINONE IIA SULFONATE

Structure Search

SMILES

[Na+].CC1=C(OC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C)S([O-])(=O)=O

InChI

InChIKey=AZEZEAABTDXEHR-UHFFFAOYSA-M

InChI=1S/C19H18O6S.Na/c1-9-13-15(20)16(21)14-10-5-4-8-19(2,3)12(10)7-6-11(14)17(13)25-18(9)26(22,23)24;/h6-7H,4-5,8H2,1-3H3,(H,22,23,24);/q;+1/p-1

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	C19H17O6S
Molecular Weight	373.4
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cocaine esterase 2 Target ID: O00748 Gene ID: 8824.0 Gene Symbol: CES2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/23286284	Inhibitor 8297		3.9 µM [Ki]

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:46:33 GMT 2023` Edited by `admin` on `Sat Dec 16 11:46:33 GMT 2023`
Record UNII	IVJ88KQ4XN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM TANSHINONE IIA SULFONATE

Common Name

English

DS-201

Code

English

SULFOTANSHINONE SODIUM II-A

Common Name

English

TANSHINONE IIA SODIUM SULFONATE

Common Name

English

PHENANTHRO(1,2-B)FURAN-2-SULFONIC ACID, 6,7,8,9,10,11-HEXAHYDRO-1,6,6-TRIMETHYL-10,11-DIOXO-, SODIUM SALT

Systematic Name

English

SULFOTANSHINONE SODIUM

Common Name

English

Tanshinone IIA sodium sulfonate [WHO-DD]

Common Name

English

Code System Code Type Description

PUBCHEM

23669322