Etomidate Impurity 13

CAT: 1299-RM-E201313-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E201313-02Size:25 mg

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CAS Number

2374709-47-2

Synonyms

(R) -diethyl 2,2'- ((1-phenylethyl) azanediyl) diacetate

Molecular Formula

C16H23NO4

Molecular Weight

293.36

Target Alternative Name

Etomidate

Product Name Synonym

(R) -diethyl 2,2'- ((1-phenylethyl) azanediyl) diacetate

Chemical Information

Etomidate Impurity 13

CAS Number	2374709-47-2
PubChem CID	175674703
IUPAC Name	ethyl 2-[(2-ethoxy-2-oxoethyl)-[(1R)-1-phenylethyl]amino]acetate
Molecular Formula	C16H23NO4
Molecular Weight	293.36
XLogP	2.7
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	21
Formal Charge	0
Complexity	306

SMILES

CCOC(=O)CN(CC(=O)OCC)[C@H](C)C1=CC=CC=C1

InChI

InChI=1S/C16H23NO4/c1-4-20-15(18)11-17(12-16(19)21-5-2)13(3)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3/t13-/m1/s1

InChIKey

KGHITMHKXFGNEP-CYBMUJFWSA-N

Chemical Structure

2D Structure

CAS: 2374709-47-2

CID: 175674703

Formula: C16H23NO4

MW: 293.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.36
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	293.16270821
Monoisotopic Mass	293.16270821
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	306
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	1
Compound Is Canonicalized	Yes