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| Name |
Cyclochlorotine |
EINECS | N/A |
| CAS No. | 12663-46-6 | Density | 1.47g/cm3 |
| PSA | 177.17000 | LogP | 0.16380 |
| Solubility | N/A | Melting Point |
255°C |
| Formula | C24H31 Cl2 N5 O7 | Boiling Point | 1056.9°Cat760mmHg |
| Molecular Weight | 571.49 | Flash Point | 593°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A deadly poison by ingestion, subcutaneous, intraperitoneal, and intravenous routes. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cyclo[(R)-3-phenyl-b-alanyl-L-seryl-(2a,3a,4a)-3,4-dichloro-L-prolyl-L-2-aminobutanoyl-L-seryl];Pyrrolo[1,2-d][1,4,7,10,13]pentaazacyclohexadecine, cyclic peptide deriv.;Chlorine containing peptide; Chloropeptide, from Penicillium islandicum;Cyclic(L-3-phenyl-b-alanyl-L-seryldichloro-L-prolyl-L-a-aminobutyryl-L-seryl); Cyclic[L-3-phenyl-b-alanyl-L-seryl-(3S-cis)-3,4-dichloro-L-prolyl-L-a-aminobutyryl-L-seryl];Cyclochlorotine; Yellowed rice toxin |
Cyclochlorotine Chemical Properties
Product Name: Cyclochlorotine (CAS NO.12663-46-6)
Molecular Formula: C24H30Cl2N5O7
Molecular Weight: 571.49g/mol
Mol File: 12663-46-6.mol
Boiling point: 1056.9 °C at 760 mmHg
Flash Point: 593 °C
Density: 1.47 g/cm3
Surface Tension: 71.3 dyne/cm
Enthalpy of Vaporization: 162.11 kJ/mol
Vapour Pressure:
XLogP3-AA: 0.2
H-Bond Donor: 6
H-Bond Acceptor: 7
Structure Descriptors of Cyclochlorotine (CAS NO.12663-46-6):
IUPAC Name: 17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,
14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
Canonical SMILES: CCC1C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)N2CC(C(C2C(=O)N1)Cl)Cl)CO)C3=CC=CC=C3)CO
InChI: InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-16(10-32)22(36)29-15(12-6-4-3-5-7-12)8-18(34)27-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-14/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,36)(H,30,35)
InChIKey: PMBVHCCVEPYDSN-UHFFFAOYSA-
Cyclochlorotine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | subcutaneous | 500mg/kg (500mg/kg) | VASCULAR: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of Toxicological Sciences. Vol. 2, Pg. 349, 1977. |
| mouse | LD50 | intraperitoneal | 330ug/kg (0.33mg/kg) | Clinical Toxicology. Vol. 17, Pg. 45, 1980. | |
| mouse | LD50 | intravenous | 335ug/kg (0.335mg/kg) | LIVER: "HEPATITIS, FIBROUS (CIRRHOSIS, POST-NECROTIC SCARRING)" | Food and Cosmetics Toxicology. Vol. 10, Pg. 193, 1972. |
| mouse | LD50 | oral | 6550ug/kg (6.55mg/kg) | LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL" LIVER: "HEPATITIS, FIBROUS (CIRRHOSIS, POST-NECROTIC SCARRING)" LIVER: OTHER CHANGES | Food and Cosmetics Toxicology. Vol. 10, Pg. 193, 1972. |
| mouse | LD50 | subcutaneous | 475ug/kg (0.475mg/kg) | LIVER: OTHER CHANGES ENDOCRINE: HYPOGLYCEMIA ENDOCRINE: HYPERGLYCEMIA | Food and Cosmetics Toxicology. Vol. 10, Pg. 193, 1972. |
| rat | LD50 | oral | 5mg/kg (5mg/kg) | VASCULAR: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of Toxicological Sciences. Vol. 2, Pg. 349, 1977. |
| rat | LD50 | subcutaneous | 400ug/kg (0.4mg/kg) | VASCULAR: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of Toxicological Sciences. Vol. 2, Pg. 349, 1977. |
| rat | LDLo | intraperitoneal | 50mg/kg (50mg/kg) | Applied and Environmental Microbiology. Vol. 35, Pg. 1074, 1978. |
Cyclochlorotine Consensus Reports
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 10 , 1976,p. 139.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .
Cyclochlorotine Safety Profile
A deadly poison by ingestion, subcutaneous, intraperitoneal, and intravenous routes. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
Cyclochlorotine Specification
Cyclochlorotine ,its CAS NO. is 12663-46-6,the synonyms is Chlorine-containing peptide, from penicillium islandicum ; Chloropeptide, from penicillium islandicum ; Cyclic(L-3-phenyl-beta-alanyl-L-seryl-(3S-cis)-3,4-dichloro-L-prolyl-L-alpha-aminobutyryl-L-seryl) ; Cyclic(L-3-phenyl-beta-alanyl-L-seryl-3,4-dichloro-L-prolyl-L-alpha-aminobutyryl-L-seryl) ; HSDB 3478 ; Islanditoxin .
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