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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28O3
Molecular Weight 340.4559
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CANRENONE

SMILES

[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])C=CC5=CC(=O)CC[C@]45C

InChI

InChIKey=UJVLDDZCTMKXJK-WNHSNXHDSA-N
InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1

HIDE SMILES / InChI
Molecular Formula C22H28O3
Molecular Weight 340.4559
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:14:19 UTC 2023
Edited
by admin
on Fri Dec 15 15:14:19 UTC 2023
Record UNII
78O20X9J0U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CANRENONE
INN   MART.   MI   USAN   WHO-DD  
USAN   INN  
Official Name English
17-Hydroxy-3-oxo-17α-pregna-4,6-diene-21-carboxylic acid γ-lactone
Common Name English
Canrenone [WHO-DD]
Common Name English
canrenone [INN]
Common Name English
NSC-261713
Code English
CANRENONE [MART.]
Common Name English
2R)-3,4-DIHYDRO-5H-SPIRO(ANDROST-4,6-DIENE-17,2-FURAN)-3,5-DIONE
Systematic Name English
SPIRONOLACTONE RELATED COMPOUND A
USP-RS  
Common Name English
17.ALPHA.-(2-CARBOXYETHYL)-17.BETA.-HYDROXYANDROSTA-4,6-DIEN-3-ONE LACTONE
Common Name English
SPIRONOLACTONE IMPURITY F [EP IMPURITY]
Common Name English
CANRENONE [USAN]
Common Name English
PREGNA-4,6-DIENE-21-CARBOXYLIC ACID, 17-HYDROXY-3-OXO-, .GAMMA.-LACTONE (17.ALPHA.)-
Common Name English
CANRENONE [MI]
Common Name English
SC-9376
Code English
SPIRONOLACTONE METABOLITE M1
Common Name English
SPIRONOLACTONE RELATED COMPOUND A [USP-RS]
Common Name English
Classification Tree Code System Code
WHO-ATC C03DA03
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
NCI_THESAURUS C49186
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
WHO-VATC QC03DA03
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C83582
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
DRUG CENTRAL
478
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
RXCUI
1982
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY RxNorm
DRUG BANK
DB12221
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
RS_ITEM_NUM
1619017
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
FDA UNII
78O20X9J0U
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
NSC
261713
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
EVMPD
SUB06076MIG
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
SMS_ID
100000081623
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
MERCK INDEX
m3023
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY Merck Index
CAS
976-71-6
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
WIKIPEDIA
CANRENONE
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
PUBCHEM
13789
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
INN
2445
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
MESH
D002192
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
ECHA (EC/EINECS)
213-554-5
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID3045930
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
ChEMBL
CHEMBL1463345
Created by admin on Fri Dec 15 15:14:19 UTC 2023 , Edited by admin on Fri Dec 15 15:14:19 UTC 2023
PRIMARY
Related Record Type Details
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
Related Record Type Details
Structure of SPIRONOLACTONE
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
Structure of SPIRONOLACTONE
PARENT -> IMPURITY
correction factor: for the calculation of content, multiply the peak area of impurity F by 2.3
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of CANRENONE
ACTIVE MOIETY
NIH
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