Etomidate hydrochloride

CAT: 0926-DCA18820-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-DCA18820-03Size:100 mg

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CAS Number

53188-20-8

MDL Number

MFCD01746940

Smiles

CCOC (=O) C1=CN=CN1C (C) C2=CC=CC=C2.Cl

Molecular Formula

C14H17ClN2O2

Molecular Weight

280.75 g/mol

Controlled

Chemical Information

1H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, ethyl ester, hydrochloride (1:1)

CAS Number	53188-20-8
PubChem CID	198290
IUPAC Name	ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;hydrochloride
Molecular Formula	C14H17ClN2O2
Molecular Weight	280.75
Topological Polar Surface Area	44.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	277

SMILES

CCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2.Cl

InChI

InChI=1S/C14H16N2O2.ClH/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12;/h4-11H,3H2,1-2H3;1H/t11-;/m1./s1

InChIKey

NCDXBSVHIGDPOE-RFVHGSKJSA-N

Chemical Structure

2D Structure

CAS: 53188-20-8

CID: 198290

Formula: C14H17ClN2O2

MW: 280.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.75
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	280.0978555
Monoisotopic Mass	280.0978555
Topological Polar Surface Area	44.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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