Amoxicillin trihydrate

(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate

CAS: 61336-70-7

Molecular Formula	`C16H25N3O8S`
Molecular Weight	419.5 g/mol
Topological Polar Surface Area	161.0 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	10
Rotatable Bonds	4
Exact Mass	419.13623
Heavy Atoms	28
Complexity	590.0

Chemical Identifiers

CAS Number	61336-70-7
SMILES	`CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C.O.O.O`
InChIKey	`MQXQVCLAUDMCEF-CWLIKTDRSA-N`

📖 Product Overview

Amoxicillin trihydrate (CAS: 61336-70-7) is a chemical compound with molecular formula C16H25N3O8S and molecular weight 419.5 g/mol. Its IUPAC systematic name is (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate. Topological Polar Surface Area 161.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 10 Rotatable Bonds 4 Exact Mass 419.13623 Heavy Atoms 28 Complexity 590.0 InChI Key: MQXQVCLAUDMCEF-CWLIKTDRSA-N. SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C.O.O.O.

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