U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H19NO3.ClH
Molecular Weight 261.745
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MACROMERINE HYDROCHLORIDE, (-)-

SMILES

Cl.COC1=C(OC)C=C(C=C1)[C@@H](O)CN(C)C

InChI

InChIKey=UXWIETBYRXIRRV-PPHPATTJSA-N
InChI=1S/C12H19NO3.ClH/c1-13(2)8-10(14)9-5-6-11(15-3)12(7-9)16-4;/h5-7,10,14H,8H2,1-4H3;1H/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C12H19NO3
Molecular Weight 225.2842
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 08:18:56 GMT 2023
Edited
by admin
on Sat Dec 16 08:18:56 GMT 2023
Record UNII
N5QM46LLQA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MACROMERINE HYDROCHLORIDE, (-)-
Common Name English
(-)-MACROMERINE HYDROCHLORIDE
Common Name English
BENZENEMETHANOL, .ALPHA.-((DIMETHYLAMINO)METHYL)-3,4-DIMETHOXY-, HYDROCHLORIDE, (R)-
Systematic Name English
MACROMERINE L-FORM HYDROCHLORIDE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m6979
Created by admin on Sat Dec 16 08:18:56 GMT 2023 , Edited by admin on Sat Dec 16 08:18:56 GMT 2023
PRIMARY Merck Index
CAS
41136-35-0
Created by admin on Sat Dec 16 08:18:56 GMT 2023 , Edited by admin on Sat Dec 16 08:18:56 GMT 2023
PRIMARY
PUBCHEM
90479265
Created by admin on Sat Dec 16 08:18:56 GMT 2023 , Edited by admin on Sat Dec 16 08:18:56 GMT 2023
PRIMARY
FDA UNII
N5QM46LLQA
Created by admin on Sat Dec 16 08:18:56 GMT 2023 , Edited by admin on Sat Dec 16 08:18:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE