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Details

Stereochemistry ACHIRAL
Molecular Formula C30H48N2O2.2ClH
Molecular Weight 541.636
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SYMETINE HYDROCHLORIDE

SMILES

Cl.Cl.CCCCCCN(C)CC1=CC=C(OCCOC2=CC=C(CN(C)CCCCCC)C=C2)C=C1

InChI

InChIKey=AVQAMDIAGIHYPS-UHFFFAOYSA-N
InChI=1S/C30H48N2O2.2ClH/c1-5-7-9-11-21-31(3)25-27-13-17-29(18-14-27)33-23-24-34-30-19-15-28(16-20-30)26-32(4)22-12-10-8-6-2;;/h13-20H,5-12,21-26H2,1-4H3;2*1H

HIDE SMILES / InChI

Approval Year

Name Type Language
SYMETINE HYDROCHLORIDE
USAN  
USAN  
Official Name English
BENZENEMETHANAMINE, 4,4'-(1,2-ETHANEDIYLBIS(OXY))BIS(N-HEXYL-N-METHYL-, DIHYDROCHLORIDE
Common Name English
SYMETINE HCL
Common Name English
SYMETINE HYDROCHLORIDE [USAN]
Common Name English
BENZENEMETHANAMINE, 4,4'-(1,2-ETHANEDIYLBIS(OXY))BIS(N-HEXYL-N-METHYL-, HYDROCHLORIDE (1:2)
Systematic Name English
4,4'-(ETHYLENEDIOXY)BIS(N-HEXYL-N-METHYLBENZYLAMINE) DIHYDROCHLORIDE
Systematic Name English
NSC-81908
Code English
Classification Tree Code System Code
NCI_THESAURUS C737
Created by admin on Fri Dec 15 16:28:27 UTC 2023 , Edited by admin on Fri Dec 15 16:28:27 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2111079
Created by admin on Fri Dec 15 16:28:27 UTC 2023 , Edited by admin on Fri Dec 15 16:28:27 UTC 2023
PRIMARY
CAS
5585-62-6
Created by admin on Fri Dec 15 16:28:27 UTC 2023 , Edited by admin on Fri Dec 15 16:28:27 UTC 2023
PRIMARY
FDA UNII
S175C652YS
Created by admin on Fri Dec 15 16:28:27 UTC 2023 , Edited by admin on Fri Dec 15 16:28:27 UTC 2023
PRIMARY
PUBCHEM
20055555
Created by admin on Fri Dec 15 16:28:27 UTC 2023 , Edited by admin on Fri Dec 15 16:28:27 UTC 2023
PRIMARY
NSC
81908
Created by admin on Fri Dec 15 16:28:27 UTC 2023 , Edited by admin on Fri Dec 15 16:28:27 UTC 2023
PRIMARY
NCI_THESAURUS
C73836
Created by admin on Fri Dec 15 16:28:27 UTC 2023 , Edited by admin on Fri Dec 15 16:28:27 UTC 2023
PRIMARY