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Details

Stereochemistry ACHIRAL
Molecular Formula C30H48N2O2
Molecular Weight 468.7143
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SYMETINE

SMILES

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

InChI

InChIKey=XVGLWUPIJXJSOB-UHFFFAOYSA-N
InChI=1S/C30H48N2O2/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

HIDE SMILES / InChI

Molecular Formula C30H48N2O2
Molecular Weight 468.7143
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:55:51 UTC 2023
Edited
by admin
on Sat Dec 16 16:55:51 UTC 2023
Record UNII
UZ8WTY8051
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SYMETINE
INN  
INN  
Official Name English
L-16726
Code English
4,4'-(ETHYLENEDIOXY)BIS(N-HEXYL-N-METHYLBENZYLAMINE)
Systematic Name English
BENZENEMETHANAMINE, 4,4'-(1,2-ETHANEDIYLBIS(OXY)BIS(N-HEXYL-N-METHYL-
Common Name English
symetine [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C277
Created by admin on Sat Dec 16 16:55:51 UTC 2023 , Edited by admin on Sat Dec 16 16:55:51 UTC 2023
Code System Code Type Description
SMS_ID
100000082991
Created by admin on Sat Dec 16 16:55:51 UTC 2023 , Edited by admin on Sat Dec 16 16:55:51 UTC 2023
PRIMARY
PUBCHEM
214341
Created by admin on Sat Dec 16 16:55:51 UTC 2023 , Edited by admin on Sat Dec 16 16:55:51 UTC 2023
PRIMARY
EVMPD
SUB10791MIG
Created by admin on Sat Dec 16 16:55:51 UTC 2023 , Edited by admin on Sat Dec 16 16:55:51 UTC 2023
PRIMARY
FDA UNII
UZ8WTY8051
Created by admin on Sat Dec 16 16:55:51 UTC 2023 , Edited by admin on Sat Dec 16 16:55:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID20864606
Created by admin on Sat Dec 16 16:55:51 UTC 2023 , Edited by admin on Sat Dec 16 16:55:51 UTC 2023
PRIMARY
INN
1144
Created by admin on Sat Dec 16 16:55:51 UTC 2023 , Edited by admin on Sat Dec 16 16:55:51 UTC 2023
PRIMARY
NCI_THESAURUS
C76431
Created by admin on Sat Dec 16 16:55:51 UTC 2023 , Edited by admin on Sat Dec 16 16:55:51 UTC 2023
PRIMARY
ChEMBL
CHEMBL2111079
Created by admin on Sat Dec 16 16:55:51 UTC 2023 , Edited by admin on Sat Dec 16 16:55:51 UTC 2023
PRIMARY
CAS
15599-45-8
Created by admin on Sat Dec 16 16:55:51 UTC 2023 , Edited by admin on Sat Dec 16 16:55:51 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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