- Rubratoxin B
- Rubratoxin B, dihydro-
- Rubratoxin B, monosodium
- 2179-45-5Benzonitrile,4-(trichloromethyl)-
- 2179-57-9Disulfide,di-2-propenyl
- 2179-58-0Disulfide, methyl2-propenyl
- 2179-59-1Disulfide,2-propen-1-yl propyl
- 217959-85-82-Thiophenecarboxylicacid, 3-hydroxy-5-(trifluoromethyl)-
- 2179-60-4Disulfide,methyl propyl
- 217962-82-83-Thiophenecarboxylicacid, 2-amino-5-[(dimethylamino)carbonyl]-4-methyl-, ethyl ester
- 217968-14-4Butanedioic acid,2,3-bis[(4-methylbenzoyl)oxy]-, ion(2-), (2S,3S)-
- 21797-13-7TETRAKIS(ACETONITRILE)PALLADIUM(II) TETRAFLUOROBORATE
- 2179-79-5Selenocyanic acid,phenyl ester
Hot Products
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- 7631-86-9Silicon dioxide
- 302-79-4Tretinoin
- 77-92-9Citric acid
|
Basic Information |
|
Post buying leads |
|
Suppliers |
| Name |
Rubratoxin B |
EINECS | N/A |
| CAS No. | 21794-01-4 | Density | 1.45g/cm3 |
| PSA | 173.73000 | LogP | 0.69740 |
| Solubility | N/A | Melting Point |
176°C |
| Formula | C26H30 O11 | Boiling Point | 807.4°Cat760mmHg |
| Molecular Weight | 518.56 | Flash Point | 271.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A deadly poison by ingestion and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | 22 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
1,5-Cyclononadiene-1,2,5,6-tetracarboxylic1,2:5,6-dianhydride,8-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-3-hydroxy-4-(1-hydroxyheptyl)-(8CI); 1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone, 10-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-,[4R*,5S*(R*),10S*[S*(S*)]]-(+)-; NSC 126729; Rubratoxin B |
Rubratoxin B Chemical Properties
Molecule structure of Rubratoxin B (CAS NO.21794-01-4) :
Molecular Weight: 518.5098 g/mol
Molecular Formula: C26H30O11
Density: 1.45 g/cm3
Boiling Point: 807.4 °C at 760 mmHg
Flash Point: 271.8 °C
Index of Refraction: 1.608
Molar Refractivity: 123.36 cm3
Molar Volume: 356.5 cm3
Polarizability: 48.9×10-24 cm3
Surface Tension: 68.8 dyne/cm
Enthalpy of Vaporization: 133.66 kJ/mol
Vapour Pressure: 3.6E-30 mmHg at 25 °C
XLogP3-AA: 2
H-Bond Donor: 3
H-Bond Acceptor: 11
Rotatable Bond Count: 8
Exact Mass: 518.178812
MonoIsotopic Mass: 518.178812
Topological Polar Surface Area: 174
Heavy Atom Count: 37
Complexity: 1100
Defined Atom StereoCenter Count: 6
Canonical SMILES: CCCCCCC(C1C(C2=C(CC(CC3=C1C(=O)OC3=O)C(C4CC=CC(=O)O4)O)C(=O)OC2=O)O)O
Isomeric SMILES: CCCCCC[C@H]([C@H]1[C@H](C2=C(C[C@H](CC3=C1C(=O)OC3=O)[C@@H]([C@@H]4CC=CC(=O)O4)O)C(=O)OC2=O)O)O
InChI: InChI=1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3/t12-,15+,16-,20+,21-,22-/m0/s1
InChIKey: ZJTBTDVZNGBSNG-RETZLTROSA-N
EINECS: 244-582-6
Storage Temp.: 0-6 °C
Rubratoxin B Toxicity Data With Reference
| 1. | dni-hmn:hla 32 mg/L | JJEMAG Japanese Journal of Experimental Medicine. 40 (1970),409. | ||
| 2. | oms-hmn:hla 32 mg/L | JJEMAG Japanese Journal of Experimental Medicine. 40 (1970),409. | ||
| 3. | orl-rat LD50:400 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 19 (1971),712. | ||
| 4. | ipr-rat LD50:350 µg/kg | TXAPA9 Toxicology and Applied Pharmacology. 19 (1971),712. | ||
| 5. | ipr-mus LD50:270 µg/kg | TXAPA9 Toxicology and Applied Pharmacology. 19 (1971),712. | ||
| 6. | scu-mus LD50:6800 mg/kg | 85GDA2 CRC Handbook of Antibiotic Compounds. 6 (1981),135. | ||
| 7. | ipr-dog LDLo:500 µg/kg | JEPTDQ Journal of Environmental Pathology and Toxicology. 1 (1)(1977),59. | ||
| 8. | ipr-cat LD50:200 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 19 (1971),712. | ||
| 9. | ipr-gpg LD50:480 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 19 (1971),712. |
Rubratoxin B Consensus Reports
EPA Genetic Toxicology Program.
Rubratoxin B Safety Profile
A deadly poison by ingestion and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: 
Xn
Risk Statements: 22
R22:Harmful if swallowed.
RIDADR: 2811
RTECS: GX9275000
HazardClass: 6.1(b)
PackingGroup: III
Rubratoxin B Specification
Rubratoxin B (CAS NO.21794-01-4) is also called 1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-3-hydroxy-4-(1-hydroxyheptyl)- ; 1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-, (4R*,5S*(R*),10S*(S*(S*)))-(+)- ; BRN 1633114 ; CCRIS 4939 ; HSDB 3533 ; NSC 126729 .
What can I do for you?
Get Best Price
