OUABEGENIN MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H34O8.H2O
Molecular Weight	456.5265
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.[H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]4(C)[C@H](CC[C@]24O)C5=CC(=O)OC5

InChI

InChIKey=OOGGOPSOQVTNKB-SDOGASDTSA-N

InChI=1S/C23H34O8.H2O/c1-20-9-16(26)19-15(23(20,30)5-3-14(20)12-6-18(28)31-10-12)2-4-21(29)8-13(25)7-17(27)22(19,21)11-24;/h6,13-17,19,24-27,29-30H,2-5,7-11H2,1H3;1H2/t13-,14+,15+,16+,17+,19+,20+,21-,22+,23-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C23H34O8
Molecular Weight	438.5113
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Chronic hypertension induced by ouabain but not digoxin in the rat: antihypertensive effect of digoxin and digitoxin.	2000 Sep	11016824

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:40:24 GMT 2023` Edited by `admin` on `Sat Dec 16 09:40:24 GMT 2023`
Record UNII	8I93931LPP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OUABEGENIN MONOHYDRATE

Common Name

English

CARD-20(22)-ENOLIDE, 1,3,5,11,14,19-HEXAHYDROXY-, MONOHYDRATE, (1.BETA.,3.BETA.,5.BETA.,11.ALPHA.)-

Systematic Name

English

OUABAGENIN MONOHYDRATE [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

86278130

Created by admin on Sat Dec 16 09:40:24 GMT 2023 , Edited by admin on Sat Dec 16 09:40:24 GMT 2023

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MERCK INDEX

m8269

Created by admin on Sat Dec 16 09:40:24 GMT 2023 , Edited by admin on Sat Dec 16 09:40:24 GMT 2023

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Merck Index

CAS

6253-61-8

Created by admin on Sat Dec 16 09:40:24 GMT 2023 , Edited by admin on Sat Dec 16 09:40:24 GMT 2023

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FDA UNII

8I93931LPP

Created by admin on Sat Dec 16 09:40:24 GMT 2023 , Edited by admin on Sat Dec 16 09:40:24 GMT 2023

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