Compound Summary

spironolactone
  Compound Information
 spironolactone

Compound Name:

spironolactone

Compound CID:

5833

Synonyms:

spironolactone

52-01-7

Aldactone

Spirolactone

Verospiron

More...

Iupac Name:

S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate

InChI:

InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1

InChIKey:

LXMSZDCAJNLERA-ZHYRCANASA-N

Canonical Smiles:

CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C

Isomeric Smiles:

CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C

Molecular Weight:

416.6

Molecular Formula:

C24H32O4S

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 spironolactone

Molecular Weight:

416.6

Molecular Formula:

C24H32O4S

Hydrogen Bond Donor Count:

0

Hydrogen Bond Acceptor Count:

5

Rotatable Bond Count:

2

Heavy Atom Count:

29

Complexity:

818

  Synonyms
 spironolactone

spironolactone spironolactone

spironolactone

52-01-7

Aldactone

Spirolactone

Verospiron

Euteberol

Spirolang

Verospirone

Spiroctan

Acelat

Aldactone A

Spironocompren

Melarcon

Spiresis

Spiridon

Uractone

Urusonin

Alderon

Spirone

Xenalon

Dira

Spiro-Tablinen

Spironolactone A

spironolattone

Aquareduct

Aldopur

Espironolactona

Spironolactonum

Abbolactone

Aldace

Almatol

Deverol

Altex

Berlactone

SC 9420

SC-9420

UNII-27O7W4T232

MFCD00082250

CHEMBL1393

C24H32O4S

CHEBI:9241

Spiro(17H-cyclopenta(a)phenauthrene-17,2-(3H)-furan)

SC9420

Spironolattone DCIT

27O7W4T232

NSC-150399

Aldactide

Spiractin

Spironolactonum INN-Latin

Espironolactona INN-Spanish

DSSTox_CID_14186

DSSTox_RID_79120

DSSTox_GSID_34186

SC 15983

(1S,2R,2R,9R,10R,11S,15S)-9-(acetylsulfanyl)-2,15-dimethylspirooxolane-2,14-tetracyclo8.7.0.0^{2,7}.0^{11,15}heptadecan-6-ene-5,5-dione

17-Hydroxy-7-alpha-mercapto-3-oxo-17-alpha-pregn-4-ene-21-carboxylic acid-gamma-lactone-7-acetate

S-(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5-dioxo-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3H-spirocyclopentaaphenanthrene-17,2-furan-7-yl ethanethioate"

S-(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5-dioxospiro2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopentaaphenanthrene-17,2-oxolane-7-yl ethanethioate"

Spiro17H-cyclopentaaphenauthrene-17,2-(3H)-furan

Diatense

Aldactone (TN)

SMR000471892

HSDB 3184

EINECS 200-133-6

NSC 150399

BRN 0057767

spirotone

Spiranolactone

Carospir

2oax

3vhu

CAS-52-01-7

NCGC00015948-02

3-(3-Keto-7.alpha.-acetylthio-17.beta.-hydroxy-4-androsten-17.alpha.-yl)propionic acid lactone

7-.alpha.-(acetylthio)-17-.alpha.-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, .gamma.-lactone

7-alpha-Acetylthio-3-oxo-17-alpha-pregn-4-ene-21,17-beta-carbolactone

S-((7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5-dioxo-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3H-spirocyclopentaaphenanthrene-17,2-furan-7-yl) ethanethioate

Spironolactone USP:INN:BAN:JAN

Pregn-4-ene-21-carboxylic acid, 7-(acetylthio)-17-hydroxy-3-oxo-, gamma-lactone, (7alpha,17alpha)-

Prestwick0_000128

Prestwick1_000128

Prestwick2_000128

Prestwick3_000128

17-Hydroxy-7alpha-mercapto-3-oxo-17alpha-pregn-4-ene-21-carboxylic acid, gamma-lactone acetate

3-(3-Oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17-beta-yl)propionic acid lactone

3-(3-Keto-7-alpha-acetylthio-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic acid lactone

BIDD:PXR0071

SCHEMBL20939

BSPBio_000176

17alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7alpha-mercapto-3-oxo-, gamma-lactone, acetate

4-18-00-01601 (Beilstein Handbook Reference)

MLS001074672

MLS001333253

MLS001333254

MLS002153245

MLS002207058

MLS002548846

SPBio_002115

BPBio1_000194

GTPL2875

DTXSID6034186

Spironolactone (JP17/USP/INN)

HMS1568I18

HMS2090N21

HMS2095I18

HMS2236E06

HMS3259G11

HMS3712I18

ACT02596

AMY40521

HY-B0561

Spironolactone, 97.0-103.0%

ZINC3861599

Tox21_113047

Tox21_302154

7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone

BDBM50228080

NSC150399

s4054

4-Pregnen-21-oic acid-17alpha-ol-3-one-7alpha-thiol gamma-lactone 7-acetate

AKOS015896401

AC-4214

CCG-220128

DB00421

KS-5234

MCULE-4394091100

NC00482

NCGC00164397-01

NCGC00164397-02

NCGC00164397-03

NCGC00164397-05

NCGC00255229-01

17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-alpha-mercapto-3-oxo-, gamma-lactone acetate

BS166385

CPD000471892

H490

Spironolactone 1.0 mg/ml in Acetonitrile

AB00513806

S0260

7080-EP2269989A1

7080-EP2270011A1

7080-EP2272841A1

7080-EP2295406A1

7080-EP2298772A1

7080-EP2298776A1

7080-EP2301936A1

7080-EP2308562A2

7080-EP2308839A1

C07310

C75438

D00443

AB01275520-01

AB01275520_02

082S250

Q422188

SR-01000765419

SR-05000000452

Q-201737

SR-01000765419-2

SR-05000000452-2

BRD-K90027355-001-03-4

BRD-K90027355-001-19-0

Z1551900341

Spironolactone, European Pharmacopoeia (EP) Reference Standard

WLN: L E5 B666 FX OV MUTJ A1 E1 KSV1 F-& CT5VOXTJ

17.alpha.-Pregn-4-ene-21-carboxylic acid, .gamma.-lactone acetate

Spironolactone, United States Pharmacopeia (USP) Reference Standard

17.alpha.-Pregn-4-ene-21-carboxylic acid, .gamma.-lactone, acetate

Pregn-4-ene-21-carboxylic acid, .gamma.-lactone, (7.alpha.,17.alpha.)-

(7?,17?)-7-(Acetylthio)-17-hydroxy-3-oxopregn-4-ene-21-carboxylic acid ?-lactone

7alpha-(Acetylthio)-17alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid gamma-lactone

Spironolactone for system suitability, European Pharmacopoeia (EP) Reference Standard

17-HYDROXY-7ALPHA-MERCAPTO-3-OXO-17ALPHA-PREGN-4-ENE-21- CARBOXYLIC ACID; GAMMA-LACTONE ACETATE

2,15-dimethyl-5,5-dioxo-(9R)-spirotetrahydrofuran-2,14-tetracyclo8.7.0.02,7.011,15heptadec-6-ene-9-yl ethanethioate"

2,15-dimethyl-5,5-dioxospirotetrahydrofuran-2,14-tetracyclo8.7.0.02,7.011,15heptadec-6-ene-9-yl ethanethioate"

2,15-dimethyl-5,5-dioxospirotetrahydrofuran-2,14-tetracyclo8.7.0.02,7.011,15heptadec-6-ene-9-yl ethanethioate(Spiranolactone)

7-alpha-(acetylthio)-17-alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, gamma-lactone (9CI)

S-(2R,7R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,5-dioxo-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3H-spirocyclopentaaphenanthrene-17,2-furan-7-yl ethanethioate"
  Experimental Data
 spironolactone

Species Dose Unit Control(Avg days) Treatment(Avg days) Avg/Med Lifespan Change(%) Control(Max days) Treatment(Max days) Max Lifespan Change(%) Significant Strain Gender PubMed Avg/Med Lifespan Change tab
Caenorhabditis elegans 33.000000000000000 umol/L -3.000000000000000 NS N2 24134630 Inactive
  Experimental Data Visualization
 spironolactone

  Statistics Data
 spironolactone

Species Avg/Med Lifespan Change(%) Max Lifespan Change(%) Count Reference Count Data point
Caenorhabditis elegans -3.000000000000000 1 1
  Statistics Data Visualization
 spironolactone

Home | Browse | Search | Predict | Data | Contact | Help

Copyright © KUST | 滇ICP备16009434号-1 | Dai SX Lab