Cerulenin

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Names

[ CAS No. ]:
17397-89-6

[ Name ]:
Cerulenin

[Synonym ]:
2,3-Epoxy-4-oxo-7,10-dodecadienamide
(2R,3S)-3-[(4E,7E)-Nona-4,7-dienoyl]oxirane-2-carboxamide
trans-dodecadienamide)
3S)-2,3-epoxy-4-oxo-7,10-trans
caerulein A
EINECS 241-424-8
[2R-[2a,3a(4E,7E)]]-3-(1-Oxo-4,7-nonadienyl)oxiranecarboxamide
Oxiranecarboxamide, 3-(1-oxo-4,7-nonadienyl)-, (2R-(2-α,3-α(4E,7E)))- (9CI)
(2R,3S)-3-[(4E,7E)-4,7-Nonadienoyl]-2-oxiranecarboxamide
2-Oxiranecarboxamide, 3-[(4E,7E)-1-oxo-4,7-nonadien-1-yl]-, (2R,3S)-
Helicocerin
MFCD00077686
2-Oxiranecarboximidic acid, 3-[(4E,7E)-1-oxo-4,7-nonadien-1-yl]-, (2R,3S)-
(2R,3S)-3-[(4E,7E)-4,7-Nonadienoyl]-2-oxiranecarboximidic acid
Cerulenin

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
456.1±45.0 °C at 760 mmHg

[ Melting Point ]:
93.5℃

[ Molecular Formula ]:
C12H17NO3

[ Molecular Weight ]:
223.268

[ Flash Point ]:
241.1±25.0 °C

[ Exact Mass ]:
223.120850

[ PSA ]:
72.69000

[ LogP ]:
0.94

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.529

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JR1670000
CHEMICAL NAME :
7,10-Dodecadienamide, 2,3-epoxy-4-oxo-
CAS REGISTRY NUMBER :
17397-89-6
LAST UPDATED :
199410
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C12-H17-N-O3
MOLECULAR WEIGHT :
223.30
WISWESSER LINE NOTATION :
T3OTJ BVZ CV2U4U2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
547 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
211 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
245 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
154 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Microorganism - not otherwise specified
DOSE/DURATION :
2 mg/L
REFERENCE :
JOBAAY Journal of Bacteriology. (American Soc. for Microbiology, 1913 I St., NW, Washington, DC 20006) V.1- 1916- Volume(issue)/page/year: 133,472,1978

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
JR1670000

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