bacmecillinam

Modify Date: 2024-01-02 21:28:29

bacmecillinam Structure
bacmecillinam structure
Common Name bacmecillinam
CAS Number 50846-45-2 Molecular Weight 441.54200
Density 1.36g/cm3 Boiling Point 578.2ºC at 760mmHg
Molecular Formula C20H31N3O6S Melting Point N/A
MSDS N/A Flash Point 303.5ºC

 Names

Name 1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.36g/cm3
Boiling Point 578.2ºC at 760mmHg
Molecular Formula C20H31N3O6S
Molecular Weight 441.54200
Flash Point 303.5ºC
Exact Mass 441.19300
PSA 123.04000
LogP 2.25970
Index of Refraction 1.612

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI0186000
CHEMICAL 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-, 1-((ethoxycarbonyl)oxy)ethyl ester, (2S-(2-alpha,5-alpha,6-beta))-
CAS REGISTRY NUMBER :
50846-45-2
LAST UPDATED :
199806
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C20-H31-N3-O6-S
MOLECULAR WEIGHT :
441.60

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
11200 mg/kg/35D-I
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
REFERENCE :
NKRZAZ Chemotherapy (Tokyo). (Nippon Kagaku Ryoho Gakkai, 2-20-8 Kamiosaki, Shinagawa-Ku, Tokyo 141, Japan) V.1- 1953- Volume(issue)/page/year: 33(Suppl 3),60,1985
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
57600 mg/kg/26W-I
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting Liver - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases
REFERENCE :
NKRZAZ Chemotherapy (Tokyo). (Nippon Kagaku Ryoho Gakkai, 2-20-8 Kamiosaki, Shinagawa-Ku, Tokyo 141, Japan) V.1- 1953- Volume(issue)/page/year: 33(Suppl 3),60,1985 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4950 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
NKRZAZ Chemotherapy (Tokyo). (Nippon Kagaku Ryoho Gakkai, 2-20-8 Kamiosaki, Shinagawa-Ku, Tokyo 141, Japan) V.1- 1953- Volume(issue)/page/year: 33(Suppl 3),78,1985
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
35100 mg/kg
SEX/DURATION :
female 17 day(s) after conception - 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
NKRZAZ Chemotherapy (Tokyo). (Nippon Kagaku Ryoho Gakkai, 2-20-8 Kamiosaki, Shinagawa-Ku, Tokyo 141, Japan) V.1- 1953- Volume(issue)/page/year: 33(Suppl 3),78,1985

 Safety Information

Hazard Codes Xn
Risk Phrases 20/21/22-36/37/38
Safety Phrases 26-36

 Synonyms

ethyl 6-ethoxy-4-thioxo-7-oxa-2,3,5-triaza-6-phosphanonan-1-oate 6-oxide
1'-Aethoxycarbonyloxyaethyl-6-(hexahydro-1H-azepin-1-yl)-methylenaminopenicillanat
ETHYL N-(DIETHOXYPHOSPHORYLTHIOCARBAMOYLAMINO)CARBAMATE
1-Aethoxycarbonyl-4-diaethylphosphono-thiosemicarbazid
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