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Pivmecillinam hydrochloride

CAT: 0931-T7560-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T7560-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32887-03-9
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Purity
0.9986
Bioactivity
Pivmecillinam hydrochloride (FL-1039 hydrochloride) is an orally active prodrug of mecillinam, an extended-spectrum penicillin antibiotic effective against gram-negative organisms, and is used as a substitute for amdinocillin.
Smiles
CC(C)(C)C(=O)OCOC(=O)C1N2C(=O)C(N=CN3CCCCCC3)C2SC1(C)C.Cl
Molecular Formula
C21H34ClN3O5S
Molecular Weight
476.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pivmecillinam Hydrochloride

See also: Amdinocillin (annotation moved to); Pivmecillinam (annotation moved to).

CAS Number32887-03-9
PubChem CID115162
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 FormulaC21H34ClN3O5S
Molecular Weight476.0
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity710
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C.Cl
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
InChIKey
UHPXMYLONAGUPC-WKLLBTDKSA-N
Chemical Structure
2D Structure
2D structure of Pivmecillinam Hydrochloride
CAS: 32887-03-9
CID: 115162
Formula: C21H34ClN3O5S
MW: 476.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass475.1907701
Monoisotopic Mass475.1907701
Topological Polar Surface Area114 Ų
Heavy Atom Count31
Formal Charge0
Complexity710
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
P141-10MGPivmecillinam Hydrochloride
HY-B0810A-01Pivmecillinam (hydrochloride)
HY-B0810AR-01Pivmecillinam (hydrochloride) (Standard)
A17643-50Pivmecillinam hydrochloride 50mg
A17643-5Pivmecillinam hydrochloride 5mg
AR-P31977-01Pivmecillinam-d9 Hydrochloride
A17643-10Pivmecillinam hydrochloride 10mg
A17643-500Pivmecillinam hydrochloride 500mg
A17643-100Pivmecillinam hydrochloride 100mg
A17643-25Pivmecillinam hydrochloride 25mg

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