Ketorolac EP Impurity I

CAT: 1299-RM-K201803-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-K201803-01Size:10 mg

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CAS Number

113502-55-9

Synonyms

(2,3-dihydro-1H-pyrrolizin-5-yl) (phenyl) methanone

Molecular Formula

C14H13NO

Molecular Weight

211.26

Target Alternative Name

Ketorolac

Product Name Synonym

(2,3-dihydro-1H-pyrrolizin-5-yl) (phenyl) methanone

Chemical Information

Phenyl(2,3-dihydro-1H-pyrrolizin-5-yl)methanone

CAS Number	113502-55-9
PubChem CID	71209516
IUPAC Name	6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone
Molecular Formula	C14H13NO
Molecular Weight	211.26
XLogP	2.7
Topological Polar Surface Area	22
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	270

SMILES

C1CC2=CC=C(N2C1)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H13NO/c16-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-15(12)13/h1-3,5-6,8-9H,4,7,10H2

InChIKey

DHUITNLXEMJSMU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 113502-55-9

CID: 71209516

Formula: C14H13NO

MW: 211.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.26
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	211.099714038
Monoisotopic Mass	211.099714038
Topological Polar Surface Area	22 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	270
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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-K201801-01	Ketorolac EP Impurity A
RM-K201816-01	Ketorolac EP Impurity D
RM-K201821-01	Ketorolac EP Impurity J
RM-K201815-01	Ketorolac EP Impurity C
RM-K201817-01	Ketorolac EP Impurity E
RM-K201819-01	Ketorolac EP Impurity G
RM-K201820-01	Ketorolac EP Impurity H
RM-K201802-01	Ketorolac EP Impurity B
RM-K201818-01	Ketorolac EP Impurity F
RM-T162009-01	Tryptophan EP Impurity I; N-Acetyltryptophan EP Impurity I