BUFALIN SODIUM SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H33O7S.Na
Molecular Weight	488.569
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OS([O-])(=O)=O)[C@@]1(O)CC[C@@H]2C5=COC(=O)C=C5

InChI

InChIKey=MNCMYZPIPICJMB-WWLQEYQOSA-M

InChI=1S/C24H34O7S.Na/c1-22-10-7-17(31-32(27,28)29)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)26)15-3-6-21(25)30-14-15;/h3,6,14,16-20,26H,4-5,7-13H2,1-2H3,(H,27,28,29);/q;+1/p-1/t16-,17+,18-,19+,20-,22+,23-,24+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C24H33O7S
Molecular Weight	465.58
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.98976928
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 `Mon Mar 31 21:55:40 GMT 2025` Edited by `admin` on `Mon Mar 31 21:55:40 GMT 2025`
Record UNII	YNL423LRJA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUFALIN SODIUM SULFATE [MI]

Preferred Name

English

BUFALIN SODIUM SULFATE

Common Name

English

SODIUM BUFALIN-3-SULFATE

Common Name

English

BUFA-20,22-DIENOLIDE, 14-HYDROXY-3-(SULFOOXY)-, MONOSODIUM SALT, (3.BETA.,5.BETA.)-

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m2748

Created by admin on Mon Mar 31 21:55:40 GMT 2025 , Edited by admin on Mon Mar 31 21:55:40 GMT 2025

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Merck Index

CAS

63221-24-9

Created by admin on Mon Mar 31 21:55:40 GMT 2025 , Edited by admin on Mon Mar 31 21:55:40 GMT 2025

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PUBCHEM

86278241

Created by admin on Mon Mar 31 21:55:40 GMT 2025 , Edited by admin on Mon Mar 31 21:55:40 GMT 2025

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FDA UNII

YNL423LRJA

Created by admin on Mon Mar 31 21:55:40 GMT 2025 , Edited by admin on Mon Mar 31 21:55:40 GMT 2025

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