Product Name

  • Name

    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)]-

  • EINECS
  • CAS No. 32887-03-9
  • Density 1.3g/cm3
  • Solubility
  • Melting Point 172-173°
  • Formula C21H33 N3 O5 S . Cl H
  • Boiling Point 581°Cat760mmHg
  • Molecular Weight 476.09
  • Flash Point 305.2°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion, subcutaneous, and intravenous routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx, NOx, and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 32887-03-9 (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 Symbols
  • Synonyms 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 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-,(2,2-dimethyl-1-oxopropoxy)methyl ester, monohydrochloride, [2S-(2a,5a,6b)]-; 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
  • PSA 113.81000
  • LogP 3.08940

Melysin Chemical Properties

Product Name: Melysin (CAS NO.32887-03-9)


Molecular Formula: C21H34ClN3O5S
Molecular Weight: 476.02976g/mol
Mol File: 32887-03-9.mol
Einecs: 251-278-7
Boiling point: 602.6 °C at 760 mmHg
Flash Point: 318.2 °C
Enthalpy of Vaporization: 91.3 kJ/mol
Vapour Pressure: 8.52E-15 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 7
Structure Descriptors of Melysin (CAS NO.32887-03-9):
  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-carboxylatehydrochloride
  Canonical SMILES: CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C.Cl
  Isomeric 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

Melysin Toxicity Data With Reference

1.    

orl-mky TDLo:57,330 mg/kg (91D male):REP

     JZKEDZ    Jitchuken, Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Preclinical Reports. 2 (1976),171.
2.    

orl-rat LD50:9500 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),632.
3.    

scu-rat LD50:2100 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 9 (1978),1066.
4.    

ivn-rat LD50:465 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 9 (1978),1066.
5.    

orl-mus LD50:3020 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),632.
6.    

scu-mus LD50:1930 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 9 (1978),1066.
7.    

ivn-mus LD50:475 g/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 9 (1978),1066.

Melysin Safety Profile

Moderately toxic by ingestion, subcutaneous, and intravenous routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx, NOx, and HCl.

Melysin Specification

 Melysin ,its CAS NO. is 32887-03-9,the synonyms is EINECS 251-278-7 ; FL-1039 ; Pivmecilinamo clorhidrato ; 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,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-(2alpha,5alpha,6beta))- .

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