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Details

Stereochemistry MIXED
Molecular Formula C20H28NO3
Molecular Weight 330.4412
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of ENDOBENZYLINE

SMILES

C[N+](C)(C)CCOC(=O)C(O)(C1CC2CC1C=C2)C3=CC=CC=C3

InChI

InChIKey=TVEJJYBKWFNIQS-UHFFFAOYSA-N
InChI=1S/C20H28NO3/c1-21(2,3)11-12-24-19(22)20(23,17-7-5-4-6-8-17)18-14-15-9-10-16(18)13-15/h4-10,15-16,18,23H,11-14H2,1-3H3/q+1

HIDE SMILES / InChI

Molecular Formula C20H27NO3
Molecular Weight 329.4333
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:34:25 GMT 2023
Edited
by admin
on Fri Dec 15 16:34:25 GMT 2023
Record UNII
6Y28ZNC4VB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENDOBENZYLINE
Common Name English
ENDOBENZILINE
Common Name English
ENDOBENZYLINE ION
Common Name English
ENDOBENZYLINE CATION
Common Name English
ETHANAMINIUM, 2-((2-BICYCLO(2.2.1)HEPT-5-EN-2-YL-2-HYDROXY-2-PHENYLACETYL)OXY)-N,N,N-TRIMETHYL-
Systematic Name English
CHOLINE .ALPHA.-PHENYL-5-NORBORNENE-2-GLYCOLATE
Common Name English
2-((BICYCLO(2.2.1)HEPT-5-EN-2-YLHYDROXYPHENYLACETYL)OXY)-N,N,N-TRIMETHYLETHANAMINIUM
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29704
Created by admin on Fri Dec 15 16:34:25 GMT 2023 , Edited by admin on Fri Dec 15 16:34:25 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C83687
Created by admin on Fri Dec 15 16:34:25 GMT 2023 , Edited by admin on Fri Dec 15 16:34:25 GMT 2023
PRIMARY
CAS
748710-60-3
Created by admin on Fri Dec 15 16:34:25 GMT 2023 , Edited by admin on Fri Dec 15 16:34:25 GMT 2023
PRIMARY
FDA UNII
6Y28ZNC4VB
Created by admin on Fri Dec 15 16:34:25 GMT 2023 , Edited by admin on Fri Dec 15 16:34:25 GMT 2023
PRIMARY
PUBCHEM
40223
Created by admin on Fri Dec 15 16:34:25 GMT 2023 , Edited by admin on Fri Dec 15 16:34:25 GMT 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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ACTIVE MOIETY