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| CAS No.: | 985-16-0 |
|---|---|
| Name: | NAFCILLIN SODIUM SALT |
| Molecular Structure: | |
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| Formula: | C21H21N2NaO5S |
| Molecular Weight: | 436.46 |
| Synonyms: | 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-(2-ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-, monosodium salt (8CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(2-ethoxy-1-naphthalenyl)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-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, monosodiumsalt, [2S-(2a,5a,6b)]-;6-(2-Ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid sodium salt;6-(2-Ethoxy-1-naphthamido)penicillin sodium salt;BRL 1383;Nafcil;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, sodiumsalt (1:1), (2S,5R,6R)-;Nafcillin sodium salt;Naftopen;Naphthicillin;Sodium 6-(2-ethoxy-1-naphthamido)penicillanate;Sodium nafcillin;Unipen;Wy3277;Sodium (2S,5R,6R)-6-(2-ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate; |
| EINECS: | 213-574-4 |
| Density: | 1.42g/cm3 |
| Boiling Point: | 714.1oC at 760mmHg |
| Flash Point: | 385.7oC |
| Hazard Symbols: | Xn |
| Risk Codes: | 42/43 |
| Safety: | 22-36/37-45 |
| PSA: | 124.07000 |
| LogP: | 1.47790 |
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Specification
The Nafcillin sodium, with the CAS registry number 985-16-0, is also known as 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, sodiumsalt (1:1), (2S,5R,6R)-. It belongs to the product categories of Amines; Aromatics; Chiral Reagents; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 213-574-4. This chemical's molecular formula is C21H21N2NaO5S and molecular weight is 436.46. What's more, its systematic name is Sodium (2S-(2alpha,5alpha,6beta))-6-(((2-ethoxy-1-naphthyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate. Its classification codes are: (1)Drug / Therapeutic Agent; (2)Human Data. This chemical is a synthetic beta-lactamase-resistant penicillin used to treat infections caused by Gram-positive bacteria, in particular, species of staphylococci that are resistant to other penicillins. Its storage temperature is 0 - 5°C.
Physical properties of Nafcillin sodium are: (1)#H bond acceptors: 7; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 121.24 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C(O)[C@@H]3N4C(=O)[C@@H](NC(=O)c1c2ccccc2ccc1OCC)[C@H]4SC3(C)C
(2)Std. InChI: InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/t15-,16+,19-;/m1./s1
(3)Std. InChIKey: AYAPZOUDXCDGIF-FRFVDRIFSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| child | TDLo | intravenous | 450mg/kg/3D (450mg/kg) | BLOOD: LEUKOPENIA BLOOD: EOSINOPHILIA LIVER: OTHER CHANGES | American Journal of Diseases of Children. Vol. 135, Pg. 52, 1981. |
| dog | LD50 | intravenous | 633mg/kg (633mg/kg) | GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Toxicology and Applied Pharmacology. Vol. 6, Pg. 220, 1964. |
| mammal (species unspecified) | LD50 | intramuscular | 2955mg/kg (2955mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS | Toxicology and Applied Pharmacology. Vol. 6, Pg. 220, 1964. |
| mammal (species unspecified) | LD50 | intraperitoneal | 1266mg/kg (1266mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Toxicology and Applied Pharmacology. Vol. 6, Pg. 220, 1964. |
| man | TDLo | intravenous | 429mg/kg/23D- (429mg/kg) | BLOOD: AGRANULOCYTOSIS | JAMA, Journal of the American Medical Association. Vol. 232, Pg. 1152, 1975. |
| man | TDLo | intravenous | 3100mg/kg/18D (3100mg/kg) | KIDNEY, URETER, AND BLADDER: PROTEINURIS KIDNEY, URETER, AND BLADDER: INTERSTITIAL NEPHRITIS KIDNEY, URETER, AND BLADDER: HEMATURIA | JAMA, Journal of the American Medical Association. Vol. 244, Pg. 2609, 1980. |
| mouse | LD50 | intravenous | 1gm/kg (1000mg/kg) | Russian Pharmacology and Toxicology Vol. 37, Pg. 69, 1974. | |
| women | TDLo | intravenous | 3200mg/kg/20D (3200mg/kg) | LIVER: "JAUNDICE, CHOLESTATIC" GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | American Journal of Gastroenterology. Vol. 88, Pg. 1960, 1993. |
| women | TDLo | intravenous | 4560mg/kg/19D (4560mg/kg) | BLOOD: AGRANULOCYTOSIS | JAMA, Journal of the American Medical Association. Vol. 232, Pg. 1150, 1975. |