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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14N2O2.ClH
Molecular Weight 242.702
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RWJ-432205

SMILES

Cl.NC(=O)OC[C@@H]1CC2=C(CN1)C=CC=C2

InChI

InChIKey=RBOGFWMNQCTIJI-PPHPATTJSA-N
InChI=1S/C11H14N2O2.ClH/c12-11(14)15-7-10-5-8-3-1-2-4-9(8)6-13-10;/h1-4,10,13H,5-7H2,(H2,12,14);1H/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C11H14N2O2
Molecular Weight 206.2411
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 Thu Jul 06 19:41:09 UTC 2023
Edited
by admin
on Thu Jul 06 19:41:09 UTC 2023
Record UNII
Z9Z026O6Y7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RWJ-432205
Code English
3-ISOQUINOLINEMETHANOL, 1,2,3,4-TETRAHYDRO-, CARBAMATE (ESTER), MONOHYDROCHLORIDE, (3S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
134687196
Created by admin on Thu Jul 06 19:41:09 UTC 2023 , Edited by admin on Thu Jul 06 19:41:09 UTC 2023
PRIMARY
CAS
243858-57-3
Created by admin on Thu Jul 06 19:41:09 UTC 2023 , Edited by admin on Thu Jul 06 19:41:09 UTC 2023
PRIMARY
FDA UNII
Z9Z026O6Y7
Created by admin on Thu Jul 06 19:41:09 UTC 2023 , Edited by admin on Thu Jul 06 19:41:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY