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642-78-4

Basic Information
CAS No.: 642-78-4
Name: Sodium cloxacillin
Article Data: 1
Molecular Structure:
Molecular Structure of 642-78-4 (Sodium cloxacillin)
Formula: C19H18 Cl N3 O5 S . Na
Molecular Weight: 457.87
Synonyms: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo-,monosodium salt (8CI); 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-,monosodium salt, (2S,5R,6R)- (9CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-,monosodium salt, [2S-(2a,5a,6b)]-;3-(o-Chlorophenyl)-5-methyl-4-isoxazolylpenicillin sodium salt; Ankerbin;Austrastaph; BRL 1621 sodium salt; Cloxacillin sodium; Cloxacillin sodium salt;Cloxapen; Ekvacillin; Gelstaph; Monosodium cloxacillin; Orbenin; Orbeninsodium; Prevencilina P; Prostaphilin A; Prostaphlin A; Sodium3-(O-chlorophenyl)-5-methyl-4-isoxazolylpenicillin; Sodium cloxacillin; Sodiumorbenin; Sodium syntarpen; Staphybiotic; Syntarpen sodium salt; Tegopen
EINECS: 211-390-9
Melting Point: 170°C
Solubility: Toxicity da"> 50 mg/ml

Stability

    Stable. Incompatible with strong oxidizing agents. Refrigerate.

Toxicology

    May be harmful or act as an irritant - toxicologynot fully investigated.

    Toxicity da

Appearance: white powder
Hazard Symbols: Xn
Risk Codes: 36/37/38-42/43
Safety: Moderately toxic by intraperitoneal, subcutaneous, intramuscular, and intravenous routes. Mildly toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl, NOx, SOx, Na2O.
PSA: 140.87000
LogP: 1.54280
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    CAS Number: 642-78-4 Molecular Formula: C19H17ClN3O5S.Na Molecular weight: 457.87 EINECS number: 211-390-9 Related Categories: A - KAntibiotics;Antibacterial;Antibiotics A to;Antibiotics A-FAntibiotics;Chemical Struct

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  • Cloxacillin Sodium Salt

  • Casno:

    642-78-4

    Cloxacillin Sodium Salt

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    High qualityAppearance:White powder Storage:Room temperature Package:Aluminum bag Application:Used in producing API Transportation:By air Port:Beijing

    Hangzhou Huarong Pharm Co., Ltd. established since 2009 , has been always focusing on supplying products and services to our clients in the field of small molecule drug. Huarong

  •  Hangzhou Huarong Pharm Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-571-86758373

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Chemistry

Molecular Structure of Cloxacillin sodium (CAS NO.642-78-4):

EINECS: 211-390-9
IUPAC Name: Sodium (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 
Molecular Formula: C19H17ClN3NaO5S
Molecular Weight: 457.863150 g/mol
Appearance: white crystalline powder
H-Bond Donor: 1
H-Bond Acceptor: 6
Canonical SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]
Isomeric SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+]
InChI: InChI=1S/C19H18ClN3O5S.Na/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);/q;+1/p-1/t13-,14+,17-;/m1./s1
InChIKey: SCLZRKVZRBKZCR-SLINCCQESA-M
Flash Point: 370.9 °C
Enthalpy of Vaporization: 106.17 kJ/mol
Boiling Point: 689.7 °C at 760 mmHg
Vapour Pressure: 5.65E-20 mmHg at 25 °C
Melting Point: 170 °C
Storage Temp.: 2-8 °C

Toxicity Data With Reference

1.    

orl-rat LD50:5 g/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),232.
2.    

ipr-rat LD50:1350 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 15 (1965),322.
3.    

scu-rat LD50:4200 mg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),232.
4.    

ivn-rat LD50:1660 mg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),232.
5.    

orl-mus LD50:5 g/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),232.
6.    

ipr-mus LD50:1170 mg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),232.
7.    

scu-mus LD50:1500 mg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),232.
8.    

ivn-mus LD50:916 mg/kg

    FATOAO    Farmakologiya i Toksikologiya (Moscow). 31 (1968),232.
9.    

ims-mus LD50:1220 mg/kg

    NIIRDN

Safety Profile

Safety Information of Cloxacillin sodium (CAS NO.642-78-4):
Hazard Codes: Xn Harmful
Risk Statements: 36/37/38-42/43
R36/37/38:Irritating to eyes, respiratory system and skin
R42/43:May cause sensitization by inhalation and skin contact
Safety Statements: 26-36-22
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36:Wear suitable protective clothing
S22:Do not breathe dust
WGK Germany: 2
RTECS: XH8920000
Moderately toxic by intraperitoneal, subcutaneous, intramuscular, and intravenous routes. Mildly toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl, NOx, SOx, Na2O.

Specification

  Cloxacillin sodium with CAS registry number of 642-78-4 is a semisynthetic antibiotic in the same class as penicillin, also called for 3-o-Chlorophenyl-5-methyl-4-isoxazolylpenicillin sodium ; Ankerbin ; Austrastaph ; BRL 1621 sodium salt ; BRL-1621 sodium salt ; Cloxacillin sodium anhydrous ; Cloxapen ; Ekvacillin ; Gelstaph ; Monosodium cloxacillin ; Orbenin sodium ; Prevencilina P ; Prostaphilin A ; Prostaphlin A ; Sodium 3-(o-chlorophenyl)-5-methyl-4-isoxazolylpenicillin ; Sodium cloxacillin ; Sodium orbenin ; Sodium syntarpen ; Staphybiotic ; Syntarpen sodium salt ; Tegopen ; UNII-MWQ645MKMF ; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-, monosodium salt, (2S,5R,6R)- ; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2alpha,5alpha,6beta))- ; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-, monosodium salt . Cloxacillin was discovered and developed by Beecham. It is sold under a number of trade names such as Cloxapen and Orbenin. It is used against staphylococci but has a weaker antibacterial activity than benzylpenicillin, and is devoid of serious toxicity except for allergic reactions. It has been suggested that increased use of cloxacillin may permit reduced use of vancomycin.