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Details

Stereochemistry RACEMIC
Molecular Formula C21H26N2O.ClH
Molecular Weight 358.905
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIGAMMACAINE

SMILES

Cl.O=C(NC(CCN1CCCCC1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=YVBOFDGPWVOQBW-UHFFFAOYSA-N
InChI=1S/C21H26N2O.ClH/c24-21(19-12-6-2-7-13-19)22-20(18-10-4-1-5-11-18)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H26N2O
Molecular Weight 322.4439
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:48:11 GMT 2023
Edited
by admin
on Fri Dec 15 15:48:11 GMT 2023
Record UNII
D9RYZ2DW8T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIGAMMACAINE
Common Name English
BENZAMIDE, N-(ALPHA-(2-(PIPERIDINO)ETHYL)BENZYL)-, HYDROCHLORIDE
Systematic Name English
DIGAMMACAINE, (±)-
Common Name English
LS-27382
Code English
(±)-DIGAMMACAINE
Common Name English
1-BENZAMIDO-1-PHENYL-3-PIPERIDINOPROPANE HYDROCHLORIDE
Systematic Name English
PIPERIDINE, N-(3-BENZAMIDO-3-PHENYL)PROPYL-, HYDROCHLORIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C245
Created by admin on Fri Dec 15 15:48:11 GMT 2023 , Edited by admin on Fri Dec 15 15:48:11 GMT 2023
Code System Code Type Description
CAS
63906-88-7
Created by admin on Fri Dec 15 15:48:11 GMT 2023 , Edited by admin on Fri Dec 15 15:48:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID10980945
Created by admin on Fri Dec 15 15:48:11 GMT 2023 , Edited by admin on Fri Dec 15 15:48:11 GMT 2023
PRIMARY
PUBCHEM
45176
Created by admin on Fri Dec 15 15:48:11 GMT 2023 , Edited by admin on Fri Dec 15 15:48:11 GMT 2023
PRIMARY
FDA UNII
D9RYZ2DW8T
Created by admin on Fri Dec 15 15:48:11 GMT 2023 , Edited by admin on Fri Dec 15 15:48:11 GMT 2023
PRIMARY
NCI_THESAURUS
C83671
Created by admin on Fri Dec 15 15:48:11 GMT 2023 , Edited by admin on Fri Dec 15 15:48:11 GMT 2023
PRIMARY