Trimethoxy dobutamine hydrochloride

CAT: 0926-IT28517-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-IT28517-01Size:100 mg

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CAS Number

51062-14-7

Synonyms

N-[2- (3,4-Dimethoxyphenyl) ethyl]-4-methoxy-a-methylbenzenepropanamine hydrochloride; Trimethoxydobutamine hydrochloride; Dobutamine Im purity C

MDL Number

MFCD18969556

Smiles

CC (CCC1=CC=C (C=C1) OC) NCCC2=CC (=C (C=C2) OC) OC.Cl

Molecular Formula

C21H30ClNO3

Molecular Weight

379.92 g/mol

Controlled

Chemical Information

Trimethoxy Dobutamine Hydrochloride

CAS Number	51062-14-7
PubChem CID	13800126
IUPAC Name	N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine;hydrochloride
Molecular Formula	C21H30ClNO3
Molecular Weight	379.9
Topological Polar Surface Area	39.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	26
Formal Charge	0
Complexity	344

SMILES

CC(CCC1=CC=C(C=C1)OC)NCCC2=CC(=C(C=C2)OC)OC.Cl

InChI

InChI=1S/C21H29NO3.ClH/c1-16(5-6-17-7-10-19(23-2)11-8-17)22-14-13-18-9-12-20(24-3)21(15-18)25-4;/h7-12,15-16,22H,5-6,13-14H2,1-4H3;1H

InChIKey

LNDHIIVUCMAZNW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51062-14-7

CID: 13800126

Formula: C21H30ClNO3

MW: 379.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	379.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	379.1914215
Monoisotopic Mass	379.1914215
Topological Polar Surface Area	39.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
BAB23227-01	Potassium Trimethoxy (trifluoromethyl) borate
FT71325-01	(3,4,5-Trimethoxy) toluene
FT70461-01	(2,4,6-Trimethoxy) toluene
NT44266-01	2,4,6-Trimethoxy-pyrimidine
FT71061-01	2,3,4-Trimethoxy-6-methylbenzaldehyde
QCA99407-01	Trimethoxy-[3- (2-methoxyethoxy) propyl]silane
ZCA51260-01	5,7,4'-Trimethoxy-4-phenylcoumarin
FT60549-01	Trimethoxy (3,3,3-trifluoropropyl) silane
ZEA34671-01	3,4,5-Trimethoxy-N-methylaniline
MCA61563-01	4,6,7-Trimethoxy-5-methylcoumarin

Catalog	Name
290399-01	Trimethoxy dobutamine hydrochloride
T8149-01	Dobutamine hydrochloride
MBS5758970	Dobutamine (hydrochloride)
A10325-500	Dobutamine hydrochloride 500mg
A10325-200	Dobutamine hydrochloride 200mg
A10325-10	Dobutamine hydrochloride 10mg
010903	Rac Dobutamine Hydrochloride
HY-15746R-01	Dobutamine (hydrochloride) (Standard)
A10325-100	Dobutamine hydrochloride 100mg
A10325-50	Dobutamine hydrochloride 50mg