Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

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Identification

英文名	Pivmecillinam hydrochloride
IUPAC Name	2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride
分子结构
CAS编号	32887-03-9
EINECS Number	251-278-7
别名	1-oxopropoxy)methyl ester, hydrogen salt, (2S,5R,6R)- ( 1:1) ; Chlorure d’hydrogène – (2S,5R,6R)-6-[(1-azépanylméthylène)amino]-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate de [(2,2-diméthylpropanoyl)oxy]méthyle (1:1:1);CAS Number: 32887-03-9
分子式	C21H33N3O5S.HCl
分子量	476.03
InChI	InChI=1S/C21H33N3O5S.ClH/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23;/h12,14-15,17H,6-11,13H2,1-5H3;1H/t14-,15+,17-;/m1./s1
InChI Key	UHPXMYLONAGUPC-WKLLBTDKSA-N
Canonical SMILES	CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C.Cl

Patent Information
Patent ID	Title	Publication Date
US5811547	Method for inducing crystalline state transition in medicinal substance	1998

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Physical Data

Appearance	White or almost white crystalline powder
Solubility	Freely soluble in water, in anhydrous ethanol and in methanol, slightly soluble in acetone.

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Spectra

Pivmecillinam hydrochloride CAS#: 32887-03-9 HPLC

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Route of Synthesis (ROS)

No data available

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Safety and Hazards

No data available

For more detailed information, please visit ECHA C&L website

Source: European Chemicals Agency (ECHA) License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. License URL: https://echa.europa.eu/web/guest/legal-notice Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446 Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database

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Other Data

Transportation	Under the room temperature and away from light
Storage	Under the room temperature and away from light
Market Price	USD

Druglikeness
Lipinski rules component
分子量	476.037
logP	3.183
HBA	8
HBD	0
Matching Lipinski Rules	4
Veber rules component
Polar Surface Area (PSA)	113.81
Rotatable Bond (RotB)	8
Matching Veber Rules	2

Bioactivity

In vitro: Efficacy

Quantitative Results

Parameter	Value (quant)	Unit	Effect
Fold-reduction(Colony formation)	1	fold	antibiotic agent

Use Pattern

Pivmecillinam hydrochloride CAS#: 32887-03-9 is the pivaloyloxymethyl ester of mecillinam.

Pivmecillinam hydrochloride CAS#: 32887-03-9 is only considered to be active against Gram-negative bacteria, and is used primarily in the treatment of lower urinary tract infections.

Pivmecillinam hydrochloride CAS#: 32887-03-9 is as the first-line drug of choice for empirical treatment of acute cystitis.

Pivmecillinam hydrochloride CAS#: 32887-03-9 has also been used to treat paratyphoid fever and shigellosis.

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