U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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

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 Sat Dec 16 18:09:57 GMT 2023
Edited
by admin
on Sat Dec 16 18:09:57 GMT 2023
Record UNII
72HML2UK6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Itruvone
USAN   INN  
Official Name English
itruvone [INN]
Common Name English
ITRUVONE [USAN]
Common Name English
PH-10
Code 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 Sat Dec 16 18:09:57 GMT 2023 , Edited by admin on Sat Dec 16 18:09:57 GMT 2023
PRIMARY
CAS
21321-89-1
Created by admin on Sat Dec 16 18:09:57 GMT 2023 , Edited by admin on Sat Dec 16 18:09:57 GMT 2023
PRIMARY
PUBCHEM
15633961
Created by admin on Sat Dec 16 18:09:57 GMT 2023 , Edited by admin on Sat Dec 16 18:09:57 GMT 2023
PRIMARY
SMS_ID
300000042069
Created by admin on Sat Dec 16 18:09:57 GMT 2023 , Edited by admin on Sat Dec 16 18:09:57 GMT 2023
PRIMARY
NCI_THESAURUS
C188524
Created by admin on Sat Dec 16 18:09:57 GMT 2023 , Edited by admin on Sat Dec 16 18:09:57 GMT 2023
PRIMARY
FDA UNII
72HML2UK6J
Created by admin on Sat Dec 16 18:09:57 GMT 2023 , Edited by admin on Sat Dec 16 18:09:57 GMT 2023
PRIMARY
INN
12084
Created by admin on Sat Dec 16 18:09:57 GMT 2023 , Edited by admin on Sat Dec 16 18:09:57 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY