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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O
Molecular Weight 296.4464
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Itruvone

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C#C

InChI

InChIKey=CHOUAXDNNAVGHR-NWSAAYAGSA-N
InChI=1S/C21H28O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h1,13-14,17-19H,5-12H2,2-3H3/t14-,17-,18-,19-,20+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H28O
Molecular Weight 296.4464
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:21:05 GMT 2025
Edited
by admin
on Wed Apr 02 10:21:05 GMT 2025
Record UNII
72HML2UK6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PH-10
Preferred Name English
Itruvone
USAN   INN  
Official Name English
itruvone [INN]
Common Name English
ITRUVONE [USAN]
Common Name English
PH10
Code English
PREGN-4-EN-20-YN-3-ONE
Systematic Name English
Code System Code Type Description
USAN
LM-04
Created by admin on Wed Apr 02 10:21:05 GMT 2025 , Edited by admin on Wed Apr 02 10:21:05 GMT 2025
PRIMARY
CAS
21321-89-1
Created by admin on Wed Apr 02 10:21:05 GMT 2025 , Edited by admin on Wed Apr 02 10:21:05 GMT 2025
PRIMARY
PUBCHEM
15633961
Created by admin on Wed Apr 02 10:21:05 GMT 2025 , Edited by admin on Wed Apr 02 10:21:05 GMT 2025
PRIMARY
SMS_ID
300000042069
Created by admin on Wed Apr 02 10:21:05 GMT 2025 , Edited by admin on Wed Apr 02 10:21:05 GMT 2025
PRIMARY
NCI_THESAURUS
C188524
Created by admin on Wed Apr 02 10:21:05 GMT 2025 , Edited by admin on Wed Apr 02 10:21:05 GMT 2025
PRIMARY
FDA UNII
72HML2UK6J
Created by admin on Wed Apr 02 10:21:05 GMT 2025 , Edited by admin on Wed Apr 02 10:21:05 GMT 2025
PRIMARY
INN
12084
Created by admin on Wed Apr 02 10:21:05 GMT 2025 , Edited by admin on Wed Apr 02 10:21:05 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY