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

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
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:18:50 GMT 2023
Edited
by admin
on Sat Dec 16 18:18:50 GMT 2023
Record UNII
SH7YT359XL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-DIMETHOXY-1-(N-METHYLAMINOMETHYL)BENZOCYCLOBUTANE
Common 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
(((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1(6),2,4-TRIEN-7-YL)METHYL)(METHYL)AMINE
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 Sat Dec 16 18:18:50 GMT 2023 , Edited by admin on Sat Dec 16 18:18:50 GMT 2023
PRIMARY PUBCHEM
FDA UNII
SH7YT359XL
Created by admin on Sat Dec 16 18:18:50 GMT 2023 , Edited by admin on Sat Dec 16 18:18:50 GMT 2023
PRIMARY
CAS
866783-12-2
Created by admin on Sat Dec 16 18:18:50 GMT 2023 , Edited by admin on Sat Dec 16 18:18:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID30467607
Created by admin on Sat Dec 16 18:18:50 GMT 2023 , Edited by admin on Sat Dec 16 18:18:50 GMT 2023
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
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966