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Details

Stereochemistry EPIMERIC
Molecular Formula C24H28NO4.Cl
Molecular Weight 429.936
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENACTROPINIUM CHLORIDE

SMILES

[Cl-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)C3=CC=CC=C3)[N+]2(C)CC(=O)C4=CC=CC=C4

InChI

InChIKey=NMWOUJTUPILZRV-PVPIFILRSA-M
InChI=1S/C24H28NO4.ClH/c1-25(16-22(26)17-8-4-2-5-9-17)19-12-13-20(25)15-21(14-19)29-24(28)23(27)18-10-6-3-7-11-18;/h2-11,19-21,23,27H,12-16H2,1H3;1H/q+1;/p-1/t19-,20+,21+,23?,25?;

HIDE SMILES / InChI

Approval Year

Name Type Language
PHENACTROPINIUM CHLORIDE
INN   MI  
INN  
Official Name English
ROQ-432
Code English
phenactropinium chloride [INN]
Common Name English
PHENACTROPINIUM CHLORIDE [MI]
Common Name English
8-AZONIABICYCLO(3.2.1)OCTANE, 3-((2-HYDROXY-2-PHENYLACETYL)OXY)-8-METHYL-8-(2-OXO-2-PHENYLETHYL)-, CHLORIDE (1:1)
Systematic Name English
N-PHENACYLHOMATROPINIUM CHLORIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66886
Created by admin on Fri Dec 15 16:40:32 UTC 2023 , Edited by admin on Fri Dec 15 16:40:32 UTC 2023
Code System Code Type Description
PUBCHEM
20054991
Created by admin on Fri Dec 15 16:40:32 UTC 2023 , Edited by admin on Fri Dec 15 16:40:32 UTC 2023
PRIMARY
FDA UNII
43P9Q83UFF
Created by admin on Fri Dec 15 16:40:32 UTC 2023 , Edited by admin on Fri Dec 15 16:40:32 UTC 2023
PRIMARY
MERCK INDEX
m393
Created by admin on Fri Dec 15 16:40:32 UTC 2023 , Edited by admin on Fri Dec 15 16:40:32 UTC 2023
PRIMARY Merck Index
MESH
C011063
Created by admin on Fri Dec 15 16:40:32 UTC 2023 , Edited by admin on Fri Dec 15 16:40:32 UTC 2023
PRIMARY
NCI_THESAURUS
C90898
Created by admin on Fri Dec 15 16:40:32 UTC 2023 , Edited by admin on Fri Dec 15 16:40:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID90958869
Created by admin on Fri Dec 15 16:40:32 UTC 2023 , Edited by admin on Fri Dec 15 16:40:32 UTC 2023
PRIMARY
EVMPD
SUB09746MIG
Created by admin on Fri Dec 15 16:40:32 UTC 2023 , Edited by admin on Fri Dec 15 16:40:32 UTC 2023
PRIMARY
INN
797
Created by admin on Fri Dec 15 16:40:32 UTC 2023 , Edited by admin on Fri Dec 15 16:40:32 UTC 2023
PRIMARY
SMS_ID
100000082207
Created by admin on Fri Dec 15 16:40:32 UTC 2023 , Edited by admin on Fri Dec 15 16:40:32 UTC 2023
PRIMARY
ChEMBL
CHEMBL2111125
Created by admin on Fri Dec 15 16:40:32 UTC 2023 , Edited by admin on Fri Dec 15 16:40:32 UTC 2023
PRIMARY
CAS
3784-89-2
Created by admin on Fri Dec 15 16:40:32 UTC 2023 , Edited by admin on Fri Dec 15 16:40:32 UTC 2023
PRIMARY