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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26N2O4.ClH
Molecular Weight 406.903
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CILADOPA HYDROCHLORIDE

SMILES

Cl.COC1=C(OC)C=C(C=C1)[C@H](O)CN2CCN(CC2)C3=CC=CC=CC3=O

InChI

InChIKey=UIOUCVPFPQUSAS-FSRHSHDFSA-N
InChI=1S/C21H26N2O4.ClH/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24;/h3-9,14,19,25H,10-13,15H2,1-2H3;1H/t19-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CILADOPA HYDROCHLORIDE
MART.   USAN  
USAN  
Official Name English
TREMERASE
Brand Name English
(-)-(S)-2-(4-(.BETA.-HYDROXY-3,4-DIMETHOXYPHENETHYL)-1-PIPERAZINYL)-2,4,6-CYCLOHEPTATRIEN-1-ONE MONOHYDROCHLORIDE
Systematic Name English
AY-27,110
Code English
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-(4-(2-(3,4-DIMETHOXYPHENYL)-2-HYDROXYETHYL)-1-PIPERAZINYL)-, MONOHYDROCHLORIDE, (S)-
Systematic Name English
CILADOPA HYDROCHLORIDE [USAN]
Common Name English
AY-27110
Code English
CILADOPA HYDROCHLORIDE [MART.]
Common Name English
CILADOPA HCL
Common Name English
Code System Code Type Description
ChEMBL
CHEMBL2110793
Created by admin on Fri Dec 15 15:32:03 UTC 2023 , Edited by admin on Fri Dec 15 15:32:03 UTC 2023
PRIMARY
PUBCHEM
11954350
Created by admin on Fri Dec 15 15:32:03 UTC 2023 , Edited by admin on Fri Dec 15 15:32:03 UTC 2023
PRIMARY
USAN
U-40
Created by admin on Fri Dec 15 15:32:03 UTC 2023 , Edited by admin on Fri Dec 15 15:32:03 UTC 2023
PRIMARY
NCI_THESAURUS
C171776
Created by admin on Fri Dec 15 15:32:03 UTC 2023 , Edited by admin on Fri Dec 15 15:32:03 UTC 2023
PRIMARY
FDA UNII
ASR1NR721I
Created by admin on Fri Dec 15 15:32:03 UTC 2023 , Edited by admin on Fri Dec 15 15:32:03 UTC 2023
PRIMARY
CAS
83529-09-3
Created by admin on Fri Dec 15 15:32:03 UTC 2023 , Edited by admin on Fri Dec 15 15:32:03 UTC 2023
PRIMARY