Pivmecillinam hydrochloride CAS#: 32887-03-9; ChemWhat Code: 329569

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NamePivmecillinam hydrochloride
IUPAC Name2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride
Molecular StructureStructure of Pivmecillinam hydrochloride CAS# 32887-03-9
CAS Registry Number 32887-03-9
EINECS Number251-278-7
Synonyms1-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
Molecular FormulaC21H33N3O5S.HCl
Molecular Weight476.03
InChIInChI=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 KeyUHPXMYLONAGUPC-WKLLBTDKSA-N
Canonical SMILESCC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C.Cl
Patent Information
Patent IDTitlePublication Date
US5811547Method for inducing crystalline state transition in medicinal substance1998

Physical Data

AppearanceWhite or almost white crystalline powder
SolubilityFreely soluble in water, in anhydrous ethanol and in methanol, slightly soluble in acetone.

Spectra

Pivmecillinam hydrochloride CAS#: 32887-03-9 HPLCHPLC of Pivmecillinam hydrochloride CAS# 32887-03-9

Route of Synthesis (ROS)

No data available

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

Other Data

TransportationUnder the room temperature and away from light
StorageUnder the room temperature and away from light
Market PriceUSD
Druglikeness
Lipinski rules component
Molecular Weight476.037
logP3.183
HBA8
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)113.81
Rotatable Bond (RotB)8
Matching Veber Rules2
Bioactivity
In vitro: Efficacy
Quantitative Results
ParameterValue (quant)UnitEffect
Fold-reduction(Colony formation)1foldantibiotic 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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