SODIUM 9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE-19-YL SULFATE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H29O8S.Na
Molecular Weight	452.494
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE-19-YL SULFATE

Structure Search

SMILES

[Na+].[H][C@]12CCC(C)=C(C\C=C3/[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)COS([O-])(=O)=O

InChI

InChIKey=PVFDPMYXCZLHKY-MLLWLMKGSA-M

InChI=1S/C20H30O8S.Na/c1-12-4-7-16-19(2,14(12)6-5-13-15(21)10-27-18(13)23)9-8-17(22)20(16,3)11-28-29(24,25)26;/h5,15-17,21-22H,4,6-11H2,1-3H3,(H,24,25,26);/q;+1/p-1/b13-5+;/t15-,16+,17-,19+,20+;/m1./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	C20H29O8S
Molecular Weight	429.504
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:46:17 GMT 2023` Edited by `admin` on `Sat Dec 16 15:46:17 GMT 2023`
Record UNII	Z5RVW4Z10Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE-19-YL SULFATE

Common Name

English

SODIUM 9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE-19-YL SULFATE COMPONENT OF XIYANPING

Common Name

English

2(3H)-FURANONE, DIHYDRO-4-HYDROXY-3-(2-((4AS,5R,6R,8AR)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-6-HYDROXY-2,5,8A-TRIMETHYL-5-((SULFOOXY)METHYL)-1-NAPHTHALENYL)ETHYLIDENE)-, SODIUM SALT (1:1), (3E,4S)-

Systematic Name

English

DHAS

Common Name

English

Andrographolide sulfonate sodium [WHO-DD]

Common Name

English

XIYANPING COMPONENT SODIUM 9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE-19-YL SULFATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID801028126

Created by admin on Sat Dec 16 15:46:17 GMT 2023 , Edited by admin on Sat Dec 16 15:46:17 GMT 2023

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FDA UNII

Z5RVW4Z10Q

Created by admin on Sat Dec 16 15:46:17 GMT 2023 , Edited by admin on Sat Dec 16 15:46:17 GMT 2023

PRIMARY

CAS

1443513-92-5

Created by admin on Sat Dec 16 15:46:17 GMT 2023 , Edited by admin on Sat Dec 16 15:46:17 GMT 2023

PRIMARY

PUBCHEM

72191954

Created by admin on Sat Dec 16 15:46:17 GMT 2023 , Edited by admin on Sat Dec 16 15:46:17 GMT 2023

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Related Record Type Details


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9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE-19-YL SULFATE

PARENT -> SALT/SOLVATE