Dopastin

CAT: 0013-GTR19233149-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19233149-02Size:10 mg

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Description

This potent small molecule inhibitor of dopamine β-hydroxylase is a valuable research tool. It is used in both in vitro and in vivo studies to investigate catecholamine biosynthesis, neurotransmission, and related cardiovascular and neurological pathways.

CAS Number

37134-80-8

Smiles

[C@H] (CNC (/C=C/C) =O) (N (N=O) O) [C@@H] (C) C

Molecular Formula

C9H17N3O3

Molecular Weight

215.25

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(Z)-[(2S)-1-[[(E)-But-2-enoyl]amino]-3-methylbutan-2-yl]-hydroxyimino-oxidoazanium

See also: Dopastin (annotation moved to).

CAS Number	37134-80-8
PubChem CID	135441077
IUPAC Name	(Z)-[(2S)-1-[[(E)-but-2-enoyl]amino]-3-methylbutan-2-yl]-hydroxyimino-oxidoazanium
Molecular Formula	C9H17N3O3
Molecular Weight	215.25
XLogP	1.3
Topological Polar Surface Area	90.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	261

SMILES

C/C=C/C(=O)NC[C@H](C(C)C)/[N+](=N/O)/[O-]

InChI

InChI=1S/C9H17N3O3/c1-4-5-9(13)10-6-8(7(2)3)12(15)11-14/h4-5,7-8,14H,6H2,1-3H3,(H,10,13)/b5-4+,12-11-/t8-/m1/s1

InChIKey

XMPRFBUTGLVJQS-AJUNOXAASA-N

Chemical Structure

2D Structure

CAS: 37134-80-8

CID: 135441077

Formula: C9H17N3O3

MW: 215.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	215.25
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	215.12699141
Monoisotopic Mass	215.12699141
Topological Polar Surface Area	90.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	261
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBA13480-01	Dopastin

Dopastin

Chemical Information

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