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2121-12-2

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Basic Information
CAS No.: 2121-12-2
Name: ungeremine
Article Data: 6
Molecular Structure:
Molecular Structure of 2121-12-2 (ungeremine)
Formula: C16H12 N O3
Molecular Weight: 265.268
Synonyms: Lycoranium,1,2,3,3a,6,7,12b,12c-octadehydro-2-hydroxy- (8CI); Lycobetaine; Ungeremine;Ungerimine
Density: g/cm3
Melting Point: 270-272℃ (dec.)
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
PSA: 42.57000
LogP: 2.27090
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Chemistry

Product Name: Ungeremine
CAS Registry Number: 2121-12-2
Molecular Weight: 266.27138 [g/mol]
Molecular Formula: C16H12NO3
XLogP3-AA: 3
H-Bond Donor: 1
H-Bond Acceptor: 3 
Canonical SMILES: C1C[N+]2=CC3=CC4=C(C=C3C5=CC(=CC1=C52)O)OCO4
InChI: InChI=1S/C16H11NO3/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17/h3-7H,1-2,8H2/p+1
InChIKey: DFQOXFIPAAMFAU-UHFFFAOYSA-O
Following is the molecular structure of Ungeremine (CAS NO.2121-12-2) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 72mg/kg (72mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 23, Pg. 316, 1988.
rat LD50 oral 90mg/kg (90mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 23, Pg. 316, 1988.

Safety Profile

Poison by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Ungeremine , its cas register number is 2121-12-2. It also can be called 1,2,3,3a,6,7,12b,12c-Octadehydro-2-hydroxylycoranium ; 4,5-Dihydro-2-hydroxy-(1,3)dioxolo(4,5-j)pyrrolo(3.2.1-de)phenanthridinium ; Lycobetaine ; (1,3)Dioxolo(4,5-j)pyrrolo(3,2,1-de)phenanthridinium, 4,5-dihydro-2-hydroxy- (9CI) ; 4,5-Dihydro-2-hydroxy-(1,3)dioxolo(4,5-j)pyrrolo(3,2,1-de)phenanthridinium ; Lycoranium, 1,2,3,3a,6,7,12b,12c-octadehydro-2-hydroxy- .