Dehydromonocrotaline supplier

Name
DEHYDROMONOCROTALINE
EINECS
CAS No. 23291-96-5
Article Data5
CAS DataBase
Density 1.43g/cm³
Solubility
Melting Point 30-33°C
Formula C16H21 N O6
Boiling Point 557°Cat760mmHg
Molecular Weight 323.346
Flash Point 290.6°C
Transport Information
Appearance
Safety Poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 20-Norcrotalanan-11,15-dione,3,8-didehydro-14,19-dihydro-12,13-dihydroxy-, (13a,14a)-; Monocrotaline, 3,8-didehydro- (8CI); (+)-Dehydromonocrotaline;2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione,4,5,8,12,13,13a-hexahydro-4,5-dihydroxy-3,4,5-trimethyl-, [3R-(3R*,4R*,5R*,13aR*)]-;3,8-Didehydromonocrotaline; Dehydromonocrotaline; Monocrotaline pyrrole
PSA 97.99000
LogP 0.67100

Dehydromonocrotaline Chemical Properties

Product Name: Dehydromonocrotaline (CAS NO.23291-96-5)

Molecular Formula: C₁₆H₂₁NO₆
Molecular Weight: 323.38g/mol
Mol File: 23291-96-5.mol
Boiling point: 557 °C at 760 mmHg
Flash Point: 290.6 °C
Density: 1.43 g/cm³
Surface Tension: 53.4 dyne/cm
Enthalpy of Vaporization: 88.25 kJ/mol
Vapour Pressure: 3.06E-13 mmHg at 25°C
XLogP3-AA: -0.4
H-Bond Donor: 2
H-Bond Acceptor: 6
Structure Descriptors of Dehydromonocrotaline (CAS NO.23291-96-5):
Canonical SMILES: CC1C(=O)OC2CCN3C2=C(COC(=O)C(C1(C)O)(C)O)C=C3
Isomeric SMILES: C[C@H]1C(=O)O[C@@H]2CCN3C2=C(COC(=O)[C@]([C@]1(C)O)(C)O)C=C3
InChI: InChI=1S/C16H21NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,6,9,11,20-21H,5,7-8H2,1-3H3/t9-,11+,15+,16-/m0/s1
InChIKey: ZONSVLURFASOJK-LLAGZRPASA-N

Dehydromonocrotaline Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	intraperitoneal	16mg/kg (16mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LIVER: OTHER CHANGES	Chemico-Biological Interactions. Vol. 12, Pg. 299, 1976.
rat	LDLo	intravenous	5mg/kg (5mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Pathology. Vol. 100, Pg. 169, 1970.

Dehydromonocrotaline Safety Profile

Poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NO_x.

Dehydromonocrotaline Specification

Dehydromonocrotaline ,its CAS NO. is 23291-96-5,the synonyms is 2H-(,6)Dioxacyclounlecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione, 4,5,8,12,13,13a-hexahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R-(3R*,4R*,5R*,13aR*))- ; 3,8-Didehydromonocrotaline ; Monocrotaline pyrrole ; Monocrotaline pyrrole metabolite ; Monocrotaline, 3,8-didehydro- ; 20-Norcrotalanan-11,15-dione, 3,8-didehydro-14,19-dihydro-12,13-dihydroxy-, (13-alpha,14-alpha)- .

Product Name

DEHYDROMONOCROTALINE

Dehydromonocrotaline Chemical Properties

Dehydromonocrotaline Toxicity Data With Reference

Dehydromonocrotaline Safety Profile

Dehydromonocrotaline Specification

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