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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24ClNO2.ClH
Molecular Weight 382.324
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHOPHOLINE HYDROCHLORIDE, (S)-

SMILES

Cl.COC1=CC2=C(C=C1OC)[C@H](CCC3=CC=C(Cl)C=C3)N(C)CC2

InChI

InChIKey=VKRFWQKEQQQVIZ-FERBBOLQSA-N
InChI=1S/C20H24ClNO2.ClH/c1-22-11-10-15-12-19(23-2)20(24-3)13-17(15)18(22)9-6-14-4-7-16(21)8-5-14;/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3;1H/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C20H24ClNO2
Molecular Weight 345.863
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:36:36 GMT 2023
Edited
by admin
on Sat Dec 16 08:36:36 GMT 2023
Record UNII
P66TW58PLD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHOPHOLINE HYDROCHLORIDE, (S)-
Common Name English
ISOQUINOLINE, 1-(2-(4-CHLOROPHENYL)ETHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, HYDROCHLORIDE (1:1), (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
121491707
Created by admin on Sat Dec 16 08:36:36 GMT 2023 , Edited by admin on Sat Dec 16 08:36:36 GMT 2023
PRIMARY
FDA UNII
P66TW58PLD
Created by admin on Sat Dec 16 08:36:36 GMT 2023 , Edited by admin on Sat Dec 16 08:36:36 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE