Milnacipran Hydroxy Impurity (1S,2R)

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CAT#:1596-AR-M01913-01Size:10 Units

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CAS Number

172015-99-5

Synonyms

Cyclopropanecarboxamide, N, N-diethyl-2- (hydroxymethyl) -1-phenyl-, (1S,2R) - (ACI)

Molecular Formula

C15H21NO2

Molecular Weight

247.34

API Name

Milnacipran

Chemical Information

(1S,2R)-N,N-Diethyl-2-(hydroxymethyl)-1-phenylcyclopropanecarboxamide

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CAS Number	172015-99-5
PubChem CID	9992180
IUPAC Name	cis-(1S,2R)-N,N-diethyl-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxamide
Molecular Formula	C15H21NO2
Molecular Weight	247.33
XLogP	1.6
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	295

SMILES

CCN(CC)C(=O)[C@]1(C[C@H]1CO)C2=CC=CC=C2

InChI

InChI=1S/C15H21NO2/c1-3-16(4-2)14(18)15(10-13(15)11-17)12-8-6-5-7-9-12/h5-9,13,17H,3-4,10-11H2,1-2H3/t13-,15+/m0/s1

InChIKey

MAQDDMBCAWKSAZ-DZGCQCFKSA-N

Chemical Structure

2D Structure

CAS: 172015-99-5

CID: 9992180

Formula: C15H21NO2

MW: 247.33

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	247.33
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	247.157228913
Monoisotopic Mass	247.157228913
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	295
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
AR-M05329-01	Milnacipran Acid Impurity (1S,2R Isomer)
AR-M04700-01	(1S,2S) -Milnacipran HCl
AR-M01887-01	(1S,2S) -Milnacipran HCl
AR-V07135-01	Vibegron Impurity 61 (1S,2R)
AR-M04699-01	(1R,2R) -Milnacipran HCl
AR-M01877-01	(1R,2R) -Milnacipran HCl
AR-E01058-01	Edoxaban Impurity 21 (1S,2R,4R)
AR-E01056-01	Edoxaban Impurity 19 (1S,2R,4S)
AR-E01052-01	Edoxaban Impurity 15 (1S,2R,4S)
AR-E01059-01	Edoxaban Impurity 22 (1S,2R,4R)

Catalog	Name
RM-M121448-01	Milnacipran Impurity 22 ((1S,2R) -N-Desethyl Milnacipran Hcl)
CS-T-52887	Ticagrelor impurity E (2R) -Hydroxy (phenyl) ethanoate salt
TRC-F700610-0.5MG	N-Formyl-L-leucine(1S)-1-[(2S,3S)-2-hydroxy-3-[(R)-1-phenylethylcarbomoyl)]nonyl]dodecyl Ester(Orlistat Impurity)
TRC-H294000-5MG	(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-4-(N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylsulfamoyl)phenylcarbamate (Darunavir Impurity)
sc-223579	(3R,3aS,6aR) -Hexahydrofuro[2,3-b]furan-3-yl-4- (N- ((2R,3S) -3-amino-2-hydroxy-4-phenylbutyl) -N-isobutylsulfamoyl) phenylcarbamate (Darunavir Impurity)
sc-223580	(3R,3aS,6aR) -Hexahydrofuro[2,3-b]furan-3-yl-4- (N- ((2R,3S) -3-amino- 2-hydroxy-4-phenylbutyl) -N-isobutyl-d9-sulfamoyl) phenylcarbamate (Darunavir-d9 Impurity)
TRC-H294002-1MG	(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-4-(N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutyl-d9-sulfamoyl)phenylcarbamate (Darunavir-d9 Impurity)
013149	(3R,3aS,6aR) -Hexahydrofuro[2,3-b]furan-3-yl-4- (N- ((2R,3S) -3-amino-2-hydroxy-4-phenylbutyl) -N-isobutyl-d9-sulfamoyl) phenylcarbamate (Darunavir-d9 Impurity)
TRC-M751861-10MG	(1S,2R)-Milnacipran-D10 Hydrochloride
RM-M121401-01	Milnacipran Impurity A