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

Details

Stereochemistry RACEMIC
Molecular Formula C30H33N3O3.ClH
Molecular Weight 520.062
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROPITOIN HYDROCHLORIDE

SMILES

Cl.COC1=CC=C(C=C1)C2(NC(=O)N(CCCN3CCC(CC3)C4=CC=CC=C4)C2=O)C5=CC=CC=C5

InChI

InChIKey=IYHQTOOPUMZKRX-UHFFFAOYSA-N
InChI=1S/C30H33N3O3.ClH/c1-36-27-15-13-26(14-16-27)30(25-11-6-3-7-12-25)28(34)33(29(35)31-30)20-8-19-32-21-17-24(18-22-32)23-9-4-2-5-10-23;/h2-7,9-16,24H,8,17-22H2,1H3,(H,31,35);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C30H33N3O3
Molecular Weight 483.6013
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:58:46 UTC 2023
Edited
by admin
on Fri Dec 15 18:58:46 UTC 2023
Record UNII
7593E9PMDZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROPITOIN HYDROCHLORIDE
USAN  
USAN  
Official Name English
ROPITOIN HYDROCHLORIDE [USAN]
Common Name English
5-(P-METHOXYPHENYL)-5-PHENYL-3-(3-(4-PHENYLPIPERIDINO)PROPYL)HYDANTOIN MONOHYDROCHLORIDE
Common Name English
TR-2985
Code English
TR 2985
Code English
ROPITOIN HCL
Common Name English
2,4-IMIDAZOLIDINEDIONE, 5-(4-METHOXYPHENYL)-5-PHENYL-3-(3-(4-PHENYL-1-PIPERIDINYL)PROPYL)-, MONOHYDROCHLORIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47793
Created by admin on Fri Dec 15 18:58:46 UTC 2023 , Edited by admin on Fri Dec 15 18:58:46 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C152252
Created by admin on Fri Dec 15 18:58:46 UTC 2023 , Edited by admin on Fri Dec 15 18:58:46 UTC 2023
PRIMARY
CAS
56079-80-2
Created by admin on Fri Dec 15 18:58:46 UTC 2023 , Edited by admin on Fri Dec 15 18:58:46 UTC 2023
PRIMARY
PUBCHEM
41737
Created by admin on Fri Dec 15 18:58:46 UTC 2023 , Edited by admin on Fri Dec 15 18:58:46 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110713
Created by admin on Fri Dec 15 18:58:46 UTC 2023 , Edited by admin on Fri Dec 15 18:58:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID20971465
Created by admin on Fri Dec 15 18:58:46 UTC 2023 , Edited by admin on Fri Dec 15 18:58:46 UTC 2023
PRIMARY
FDA UNII
7593E9PMDZ
Created by admin on Fri Dec 15 18:58:46 UTC 2023 , Edited by admin on Fri Dec 15 18:58:46 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY