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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31NO3.ClH
Molecular Weight 454.001
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASOCAINOL HYDROCHLORIDE, (R)-

SMILES

Cl.COC1=CC2=C(CCN(C)[C@H](CCC3=CC=CC=C3)CC4=C2C(O)=C(OC)C=C4)C=C1

InChI

InChIKey=JTGDTQLVMHZOHX-VZYDHVRKSA-N
InChI=1S/C27H31NO3.ClH/c1-28-16-15-20-10-13-23(30-2)18-24(20)26-21(11-14-25(31-3)27(26)29)17-22(28)12-9-19-7-5-4-6-8-19;/h4-8,10-11,13-14,18,22,29H,9,12,15-17H2,1-3H3;1H/t22-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C27H31NO3
Molecular Weight 417.5399
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 Mon Mar 31 22:47:12 GMT 2025
Edited
by admin
on Mon Mar 31 22:47:12 GMT 2025
Record UNII
IBK048ANVH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5H-DIBENZ(D,F)AZONIN-1-OL, 6,7,8,9-TETRAHYDRO-2,12-DIMETHOXY-7-METHYL-6-(2-PHENYLETHYL)-, HYDROCHLORIDE (1:1), (R)-
Preferred Name English
ASOCAINOL HYDROCHLORIDE, (R)-
Common Name English
Code System Code Type Description
PUBCHEM
12941254
Created by admin on Mon Mar 31 22:47:12 GMT 2025 , Edited by admin on Mon Mar 31 22:47:12 GMT 2025
PRIMARY
FDA UNII
IBK048ANVH
Created by admin on Mon Mar 31 22:47:12 GMT 2025 , Edited by admin on Mon Mar 31 22:47:12 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER