CAS 50846-45-2|bacmecillinam

Introduction:Basic information about CAS 50846-45-2|bacmecillinam, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Namebacmecillinam
CAS Number50846-45-2Molecular Weight441.54200
Density1.36g/cm3Boiling Point578.2ºC at 760mmHg
Molecular FormulaC20H31N3O6SMelting Point/
MSDS/Flash Point303.5ºC

Names

Name1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SynonymMore Synonyms

Chemical & Physical Properties

Density1.36g/cm3
Boiling Point578.2ºC at 760mmHg
Molecular FormulaC20H31N3O6S
Molecular Weight441.54200
Flash Point303.5ºC
Exact Mass441.19300
PSA123.04000
LogP2.25970
Index of Refraction1.612
InChIKeyXHKFBADIZIDYBU-UCMJJCQDSA-N
SMILESCCOC(=O)OC(C)OC(=O)C1N2C(=O)C(N=CN3CCCCCC3)C2SC1(C)C

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 CodesXn
Risk Phrases20/21/22-36/37/38
Safety Phrases26-36

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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