2H-Pyrrol-2-one,3-acetyl-1,5-dihydro-4-hydroxy-5-[(1S)-1-methylpropyl]-, monosodium salt, (5S)-(9CI)

Modify Date: 2024-08-23 22:50:46

2H-Pyrrol-2-one,3-acetyl-1,5-dihydro-4-hydroxy-5-[(1S)-1-methylpropyl]-, monosodium salt, (5S)-(9CI) Structure
2H-Pyrrol-2-one,3-acetyl-1,5-dihydro-4-hydroxy-5-[(1S)-1-methylpropyl]-, monosodium salt, (5S)-(9CI) structure
Common Name 2H-Pyrrol-2-one,3-acetyl-1,5-dihydro-4-hydroxy-5-[(1S)-1-methylpropyl]-, monosodium salt, (5S)-(9CI)
CAS Number 1013-59-8 Molecular Weight 220.22100
Density N/A Boiling Point N/A
Molecular Formula C10H15NNaO3+ Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2H-Pyrrol-2-one,3-acetyl-1,5-dihydro-4-hydroxy-5-[(1S)-1-methylpropyl]-, monosodium salt, (5S)-(9CI)
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C10H15NNaO3+
Molecular Weight 220.22100
Exact Mass 220.09500
PSA 66.40000
LogP 1.26080

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY7525000
CHEMICAL NAME :
3-Pyrrolin-2-one, 3-acetyl-5-sec-butyl-4-hydroxy-, monosodium salt
CAS REGISTRY NUMBER :
1013-59-8
LAST UPDATED :
199506
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C10-H14-N-O3.Na
MOLECULAR WEIGHT :
219.24
WISWESSER LINE NOTATION :
T5MV EHJ CV1 DO EY2&1 &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
168 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Gastrointestinal - other changes Blood - hemorrhage
REFERENCE :
CNCRA6 Cancer Chemotherapy Reports. (Bethesda, MD) V.1-52, 1959-68. For publisher information, see CTRRDO. Volume(issue)/page/year: 52,579,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
146 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Gastrointestinal - other changes Blood - hemorrhage
REFERENCE :
CNCRA6 Cancer Chemotherapy Reports. (Bethesda, MD) V.1-52, 1959-68. For publisher information, see CTRRDO. Volume(issue)/page/year: 52,579,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
81 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Gastrointestinal - other changes Blood - hemorrhage
REFERENCE :
CNCRA6 Cancer Chemotherapy Reports. (Bethesda, MD) V.1-52, 1959-68. For publisher information, see CTRRDO. Volume(issue)/page/year: 52,579,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
115 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Gastrointestinal - other changes Blood - hemorrhage
REFERENCE :
CNCRA6 Cancer Chemotherapy Reports. (Bethesda, MD) V.1-52, 1959-68. For publisher information, see CTRRDO. Volume(issue)/page/year: 52,579,1968
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CNCRA6 Cancer Chemotherapy Reports. (Bethesda, MD) V.1-52, 1959-68. For publisher information, see CTRRDO. Volume(issue)/page/year: 52,579,1968 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
90 mg/kg/9D-I
TOXIC EFFECTS :
Blood - hemorrhage
REFERENCE :
CNCRA6 Cancer Chemotherapy Reports. (Bethesda, MD) V.1-52, 1959-68. For publisher information, see CTRRDO. Volume(issue)/page/year: 52,579,1968
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
70 mg/kg/28D-I
TOXIC EFFECTS :
Gastrointestinal - necrotic changes Blood - hemorrhage Related to Chronic Data - death
REFERENCE :
CNCRA6 Cancer Chemotherapy Reports. (Bethesda, MD) V.1-52, 1959-68. For publisher information, see CTRRDO. Volume(issue)/page/year: 52,579,1968

 Synonyms

Tenuazonic acid sodium salt
Sodium(5S)-3-acetyl-5-[(S)-1-methylpropyl]-4-hydroxy-3-pyrroline-2-olate