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Pivmecillinam Hydrochloride

CAT: 0572-TRC-P550700-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P550700-250MGSize:250 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
Synonyms
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, hydrochloride (1:1), (2S,5R,6R); 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, monohydrochloride, (2S,5R,6R)- (9CI); 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-, hydroxymethyl ester pivalate (ester), monohydrochloride, (+)- (8CI); Melysin; Pivmecillinam hydrochloride; Selexid; 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, monohydrochloride, [2S-(2alpha,5alpha,6beta)]-
Hazard Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled
Smiles
Cl.CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](\N=C\N3CCCCCC3)C2=O
Molecular Formula
C21 H33 N3 O5 S . Cl H
Molecular Weight
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/b22-12+;/t14-,15+,17-;/m1./s1
Additionnal Information
IUPAC name: 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(E)-azepan-1-ylmethylideneamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride
Shipping Conditions
Room Temperature

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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