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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H17NO2
Molecular Weight 207.2689
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-DIMETHOXY-1-(N-METHYLAMINOMETHYL)BENZOCYCLOBUTANE

SMILES

CNC[C@H]1CC2=CC(OC)=C(OC)C=C12

InChI

InChIKey=SAVVFXUMMFHSJC-SECBINFHSA-N
InChI=1S/C12H17NO2/c1-13-7-9-4-8-5-11(14-2)12(15-3)6-10(8)9/h5-6,9,13H,4,7H2,1-3H3/t9-/m1/s1

HIDE SMILES / InChI
Molecular Formula C12H17NO2
Molecular Weight 207.2689
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Wed Apr 02 10:41:02 GMT 2025
Edited
by admin
on Wed Apr 02 10:41:02 GMT 2025
Record UNII
SH7YT359XL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-DIMETHOXY-1-(N-METHYLAMINOMETHYL)BENZOCYCLOBUTANE
Common Name English
(((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1(6),2,4-TRIEN-7-YL)METHYL)(METHYL)AMINE
Preferred Name English
(S)-1-(3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)-N-METHYLMETHANAMINE
Systematic Name English
(3,4-DIMETHOXY-BICYCLO(4.2.0)OCTA-1 (6),2,4-TRIEN-7-YLMETHYL)-METHYLAMINE
Systematic Name English
BICYCLO(4.2.0)OCTA-1,3,5-TRIENE-7-METHANAMINE, 3,4-DIMETHOXY-N-METHYL-, (7S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11499437
Created by admin on Wed Apr 02 10:41:02 GMT 2025 , Edited by admin on Wed Apr 02 10:41:02 GMT 2025
PRIMARY PUBCHEM
FDA UNII
SH7YT359XL
Created by admin on Wed Apr 02 10:41:02 GMT 2025 , Edited by admin on Wed Apr 02 10:41:02 GMT 2025
PRIMARY
CAS
866783-12-2
Created by admin on Wed Apr 02 10:41:02 GMT 2025 , Edited by admin on Wed Apr 02 10:41:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID30467607
Created by admin on Wed Apr 02 10:41:02 GMT 2025 , Edited by admin on Wed Apr 02 10:41:02 GMT 2025
PRIMARY
Related Record Type Details
Structure of (1S)-4,5-DIMETHOXY-1-((METHYLAMINO)METHYL)BENZOCYCLOBUTANE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of IVABRADINE HYDROCHLORIDE
PARENT -> IMPURITY
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