SPIROXASONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H34O3S
Molecular Weight	402.59
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])[C@@H](CC5=CC(=O)CC[C@]45C)SC(C)=O

InChI

InChIKey=XKCGICBTWRNUCL-KIEAKMPYSA-N

InChI=1S/C24H34O3S/c1-15(25)28-20-14-16-13-17(26)5-9-22(16,2)18-6-10-23(3)19(21(18)20)7-11-24(23)8-4-12-27-24/h13,18-21H,4-12,14H2,1-3H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H34O3S
Molecular Weight	402.59
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/14173604 | https://www.ncbi.nlm.nih.gov/pubmed/4654667

Spiroxasone is a synthetic, steroidal antimineralocorticoid of the spirolactone group patented by Merck & Co., Inc. as a diuretic and antihypertensive agent. Spiroxasone acts as potent aldosterone antagonists in animals and humans.

Originator

Approval Year

PubMed

Title	Date	PubMed
ALDOSTERONE ANTAGONISTS. 2'3'-ALPHA-TETRAHYDROFURAN-2'SPIRO-17-(4-ANDROSTEN-3-ONE) AND RELATED COMPOUNDS.	1963 Sep	14173604

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:25:33 GMT 2023` Edited by `admin` on `Fri Dec 15 18:25:33 GMT 2023`
Record UNII	8P0U2ZA1NQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPIROXASONE

Official Name

English

SPIRO(ANDROST-4-ENE-17,2'(3'H)-FURAN)-3-ONE, 2-(ACETYLTHIO)-4',5'-DIHYDRO-, (7.ALPHA.,17.BETA.)-

Common Name

English

SPIROXASONE [USAN]

Common Name

English

spiroxasone [INN]

Common Name

English

4',5'-DIHYDRO-7.ALPHA.-MERCAPTOSPIRO(ANDROST-4-ENE-17,2'-(3'H)-FURAN)-3-ONE ACETATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C101255