Amoxicillin trihydrate impurity E

CAT: 0926-FA63619-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-FA63619-02Size:5 mg

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CAS Number

178738-48-2

Smiles

CC1 (C (NC (S1) CNC (=O) C (C2=CC=C (C=C2) O) N) C (=O) O) C

Molecular Formula

C15H21N3O4S

Molecular Weight

339.41 g/mol

Controlled

Chemical Information

(4S)-2-(((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-methyl)-5,5-dimethylthiazolidine-4-carboxylic acid

CAS Number	178738-48-2
PubChem CID	101941348
IUPAC Name	2-[[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Molecular Formula	C15H21N3O4S
Molecular Weight	339.4
XLogP	-1.9
Topological Polar Surface Area	150
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	452

SMILES

CC1(C(NC(S1)CNC(=O)C(C2=CC=C(C=C2)O)N)C(=O)O)C

InChI

InChI=1S/C15H21N3O4S/c1-15(2)12(14(21)22)18-10(23-15)7-17-13(20)11(16)8-3-5-9(19)6-4-8/h3-6,10-12,18-19H,7,16H2,1-2H3,(H,17,20)(H,21,22)

InChIKey

HLJHSXSJKLJNKE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 178738-48-2

CID: 101941348

Formula: C15H21N3O4S

MW: 339.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.4
XLogP3	-1.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	339.12527733
Monoisotopic Mass	339.12527733
Topological Polar Surface Area	150 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	452
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
IA63617-01	Amoxicillin trihydrate impurity C
FA63620-01	Amoxicillin trihydrate impurity F
FA63616-01	Amoxicillin trihydrate impurity B
IA63622-01	Amoxicillin trihydrate impurity H
IA63621-01	Amoxicillin trihydrate impurity G
FA63624-01	Amoxicillin trihydrate impurity K
AA30824-01	Amoxicillin trihydrate
IA180683-01	Amoxicillin EP Impurity E
FA181690-01	Amoxicillin impurity J
IA180686-01	Amoxicillin EP Impurity L

Catalog	Name
RM-A132412-01	Amoxicillin Trihydrate EP Impurity L
A004-25G	Amoxicillin Trihydrate
HY-B0467B-01	Amoxicillin (trihydrate)