Ampicillin EP Impurity F

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CAT#:1596-AR-A03280-01Size:10 Units

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CAS Number

124774-48-7

Synonyms

[2R-[2? (R*),4?]]-2-[[ (Aminophenylacetyl) amino]methyl]-5,5-dimethyl-4-thiazolidinecarboxylic Acid; Ampicillin EP Impurity F; (2R,4S) -2-[[[ (2R) -Aminophenylacetyl]amino]methyl]-5,5-dimethyl-4-thiazolidinecarboxylic Acid; (2R,4S) -2-[[[ (2R) -2-Amino-2-phenylacetyl]amino]methyl]-5,5-dimethyl-4-thiazolidinecarboxylic Acid.

Molecular Formula

C15H21N3O3S

Molecular Weight

323.41

API Name

Ampicillin

Chemical Information

Ampicillin EP Impurity F

CAS Number	124774-48-7
PubChem CID	70679304
IUPAC Name	(2R,4S)-2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Molecular Formula	C15H21N3O3S
Molecular Weight	323.4
XLogP	-1.5
Topological Polar Surface Area	130
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	424

SMILES

CC1([C@@H](N[C@H](S1)CNC(=O)[C@@H](C2=CC=CC=C2)N)C(=O)O)C

InChI

InChI=1S/C15H21N3O3S/c1-15(2)12(14(20)21)18-10(22-15)8-17-13(19)11(16)9-6-4-3-5-7-9/h3-7,10-12,18H,8,16H2,1-2H3,(H,17,19)(H,20,21)/t10-,11-,12+/m1/s1

InChIKey

PIIGZYMBHCDKIJ-UTUOFQBUSA-N

Chemical Structure

2D Structure

CAS: 124774-48-7

CID: 70679304

Formula: C15H21N3O3S

MW: 323.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	323.4
XLogP3	-1.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	323.13036271
Monoisotopic Mass	323.13036271
Topological Polar Surface Area	130 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	424
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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RM-A661266-01	Ampicillin Impurity 66
RM-A661264-01	Ampicillin Impurity 64
RM-A661262-01	Ampicillin Impurity 62
RM-A661261-01	Ampicillin Impurity 61
RM-A661247-01	Ampicillin Impurity 47
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Ampicillin EP Impurity F

Chemical Information

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