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62-59-9

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Basic Information
CAS No.: 62-59-9
Name: VERATRINE
Molecular Structure:
Molecular Structure of 62-59-9 (VERATRINE)
Formula: C32H49 N O9
Molecular Weight: 591.742
Synonyms: Cevadine(6CI,7CI); Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-,3-(2-methyl-2-butenoate), [3b(Z),4a,16b]-; Cevane-3b,4b,12,14,16b,17,20-heptol, 4,9-epoxy-, 3-(2-methylcrotonate), (Z)-(8CI); 2H-4,16a-Epoxybenzo[7,8]fluoreno[2,1-b]quinolizine,cevane-3,4,12,14,16,17,20-heptol deriv.; Cevadin; NSC 93767; Veratrine;Veratrine (crystallized)
Density: 1.41±0.1 g/cm3 (20 ºC 760 Torr)
Melting Point: 213.5℃ (分解)
Boiling Point: 733.3°C at 760 mmHg
Flash Point: 397.3°C
Solubility: 4.734g/L(15 oC)
Safety: Poison by intravenous, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 160.15000
LogP: 0.92910
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Chemistry

Molecular Structure of Cevadine (CAS NO. 62-59-9):

EINECS: 200-545-6
Name: Cevadine 
Molecular Formula: C32H49NO9
Molecular Weight: 591.732760 g/mol
XLogP3-AA: 0.6
H-Bond Donor: 6
H-Bond Acceptor: 10
Isomeric SMILES: C/C=C(/C)\C(=O)O[C@H]1CC[C@]2([C@H]3[C@@]1(O[C@@]24C[C@]5([C@@H]6CN7C[C@H](CC[C@H]7[C@@]([C@]6([C@H](C[C@]5([C@@H]4CC3)O)O)O)(C)O)C)O)O)C
InChI: 1S/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1
InChIKey: DBUCFOVFALNEOO-HWBIYQLFSA-N
Index of Refraction: 1.647
Molar Refractivity: 152.2 cm3
Molar Volume: 418.7 cm3
Surface Tension: 72.9 dyne/cm
Density: 1.41 g/cm3
Flash Point: 397.3 °C
Enthalpy of Vaporization: 122.19 kJ/mol
Boiling Point: 733.3 °C at 760 mmHg
Vapour Pressure: 7.94E-25 mmHg at 25 °C
BRN: 0072445

Toxicity Data With Reference

1.    

ipr-mus LD50:3500 µg/kg

     PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 76 (1951),847.
2.    

scu-mus LD50:4900 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 113 (1955),89.
3.    

ivn-mus LD50:1 mg/kg

     PHREA7    Physiological Reviews. 26 (1946),383.
4.    

scu-gpg LDLo:1 mg/kg

     PHREA7    Physiological Reviews. 26 (1946),383.

Safety Profile

Safety Information of Cevadine (CAS NO. 62-59-9):
RIDADR: 1544
HazardClass: 6.1(a)
PackingGroup: II
Poison by intravenous, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

Specification

  Cevadine with cas registry number of 62-59-9 is also known as (Z)-4-alpha,9-Epoxycevane-3-beta,4,12,14,16-beta,17,20-heptol 3-(2-methyl-2-butenoate) ; 4-21-00-06820 (Beilstein Handbook Reference) ; Cevadene ; Cevadin ; Cevadine ; Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-((2Z)-2-methyl-2-butenoate), (3beta,4alpha,16beta)- ; Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(2-methyl-2-butenoate), (3beta(Z),4alpha,16beta)- ; Cevane-3-beta,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy-, 3-(2-methylcrotonate), (Z)- ; Cevane-3beta,4beta,12,14,16beta,17,20-heptol, 4,9-epoxy-, 3-(2-methylcrotonate), (Z)- (8CI) ; NSC 93767 ; Veratrine ; Veratrine (crystallized) ; Veratrine (crystallized) (VAN) .