(R) -Metomidate

CAT: 1299-RM-E201302-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E201302-02Size:25 mg

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CAS Number

61045-91-8

Synonyms

(R) -methyl 1- (1-phenylethyl) -1H-imidazole-5-carboxylate

Molecular Formula

C13H14N2O2

Molecular Weight

230.26

Target Alternative Name

Metomidate

Product Name Synonym

(R) -methyl 1- (1-phenylethyl) -1H-imidazole-5-carboxylate

Chemical Information

Metomidate, (R)-

CAS Number	61045-91-8
PubChem CID	1129903
IUPAC Name	methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
Molecular Formula	C13H14N2O2
Molecular Weight	230.26
XLogP	2.7
Topological Polar Surface Area	44.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	264

SMILES

C[C@H](C1=CC=CC=C1)N2C=NC=C2C(=O)OC

InChI

InChI=1S/C13H14N2O2/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2/h3-10H,1-2H3/t10-/m1/s1

InChIKey

FHFZEKYDSVTYLL-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 61045-91-8

CID: 1129903

Formula: C13H14N2O2

MW: 230.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.26
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	230.105527694
Monoisotopic Mass	230.105527694
Topological Polar Surface Area	44.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	264
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

Catalog	Name
RM-E201328-01	Etomidate EP Impurity B; Metomidate controlled substance
RM-O121933-01	(R, R, R, R) -Orlistat
RM-S120712-01	Saxagliptin (R, R, R, R) -Isomer
RM-O121935-01	(R, S, R, R) -Orlistat
RM-R050201-01	(R, R) -Reboxetine
RM-A200803-01	(R, R) -Astaxanthin
RM-L010217-01	(R, R) -Labetalol
RM-S120713-01	Saxagliptin (R, R, R, S) -Isomer
RM-S120714-01	Saxagliptin (R, S, R, R) -Isomer
RM-O121910-01	Orlistat (S, R, R, R) -Isomer

Catalog	Name
AR-E58360-01	Metomidate
KBA94474-01	Metomidate hydrochloride
50R-R7315	Metomidate HCL
017600	Metomidate (Etomidate impurity B)
DMTO-102	Metomidate (MTO) Rapid Test
MBS5307749-01	Metomidate HCL chemical reference substance
DMTO-X02	Metomidate (MTO) Surface Test Cassette
DMTO-X14	Metomidate (MTO) Surface Test Panel
TRC-KIT4167-1X1ML	Metomidate Hydrochloride (1mg/mL in Methanol)