(1S)-4,5-DIMETHOXY-1-((METHYLAMINO)METHYL)BENZOCYCLOBUTANE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H17NO2.ClH
Molecular Weight	243.73
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1S)-4,5-DIMETHOXY-1-((METHYLAMINO)METHYL)BENZOCYCLOBUTANE HYDROCHLORIDE

Structure Search

SMILES

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

InChI

InChIKey=SWSAIQSQSDOONK-SBSPUUFOSA-N

InChI=1S/C12H17NO2.ClH/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;1H/t9-;/m1./s1

HIDE SMILES / InChI

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

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

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:35:12 GMT 2025` Edited by `admin` on `Wed Apr 02 11:35:12 GMT 2025`
Record UNII	JF52QM9RUB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)(METHYL)AMINE HYDROCHLORIDE

Preferred Name

English

(1S)-4,5-DIMETHOXY-1-((METHYLAMINO)METHYL)BENZOCYCLOBUTANE HYDROCHLORIDE

Systematic Name

English

BICYCLO(4.2.0)OCTA-1,3,5-TRIENE-7-METHANAMINE, 3,4-DIMETHOXY-N-METHYL-, HYDROCHLORIDE, (7S)-

Systematic Name

English

(S)-N-((4,5-DIMETHOXYBENZOCYCLOBUTAN-1-YL)METHYL)-N-METHYLAMINE HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

16115313

Created by admin on Wed Apr 02 11:35:12 GMT 2025 , Edited by admin on Wed Apr 02 11:35:12 GMT 2025

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PUBCHEM

FDA UNII

JF52QM9RUB

Created by admin on Wed Apr 02 11:35:12 GMT 2025 , Edited by admin on Wed Apr 02 11:35:12 GMT 2025

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CAS

866783-13-3

Created by admin on Wed Apr 02 11:35:12 GMT 2025 , Edited by admin on Wed Apr 02 11:35:12 GMT 2025

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EPA CompTox

DTXSID20583027

Created by admin on Wed Apr 02 11:35:12 GMT 2025 , Edited by admin on Wed Apr 02 11:35:12 GMT 2025

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Related Record Type Details


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4,5-DIMETHOXY-1-(N-METHYLAMINOMETHYL)BENZOCYCLOBUTANE

PARENT -> SALT/SOLVATE

Amount: