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| Name |
Melysin |
EINECS | N/A |
| CAS No. | 32887-03-9 | Density | 1.3g/cm3 |
| PSA | 113.81000 | LogP | 3.08940 |
| Solubility | N/A | 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 | N/A | Appearance | N/A |
| 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 | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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 |
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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