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Name	Retrorsine-N-oxide	EINECS	N/A
CAS No.	15503-86-3	Density	g/cm³
PSA	122.49000	LogP	0.13660
Solubility	N/A	Melting Point	145°C
Formula	C18H25 N O7	Boiling Point	°Cat760mmHg
Molecular Weight	367.399	Flash Point	°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by ingestion and intraperitoneal routes. Moderately toxic by intravenous route. Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x. See also ESTERS.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Isatidine(6CI,7CI); Retrorsine, N-oxide (8CI); Senecionan-11,16-dione, 12,18-dihydroxy-,4-oxide; Retrorsine oxide

Retrorsine-N-oxide Chemical Properties

Molecule structure of Retrorsine-N-oxide (CAS NO.15503-86-3):

Molecular Weight: 367.3936 g/mol
Molecular Formula: C₁₈H₂₅NO₇
H-Bond Donor: 2
H-Bond Acceptor: 7
Rotatable Bond Count: 1
Exact Mass: 367.163102
MonoIsotopic Mass: 367.163102
Topological Polar Surface Area: 116
Heavy Atom Count: 26
Complexity: 673
Defined Atom StereoCenter Count: 4
Undefined Atom StereoCenter Count: 1
Defined Bond StereoCenter Count: 1
Covalently-Bonded Unit Count: 1
Canonical SMILES: CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C
Isomeric SMILES: C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)
O)C
InChI: InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1
InChIKey of Retrorsine-N-oxide (CAS NO.15503-86-3): IDIMIWQPUHURPV-WTWIWYCDSA-N

Retrorsine-N-oxide Toxicity Data With Reference

1.	sln-dmg-par 10 mmol/L	JOGNAU Journal of Genetics. 59 (1966),273.
2.	orl-rat LD50:48 mg/kg	CBINA8 Chemico-Biological Interactions. 5 (1972),227.
3.	ipr-rat LD50:250 mg/kg	CBINA8 Chemico-Biological Interactions. 5 (1972),227.
4.	ivn-mus LD50:835 mg/kg	JPETAB Journal of Pharmacology and Experimental Therapeutics. 75 (1942),83.

Retrorsine-N-oxide 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 Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 10 ,1976,p. 269.(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) .

Retrorsine-N-oxide Safety Profile

Poison by ingestion and intraperitoneal routes. Moderately toxic by intravenous route. Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x. See also ESTERS.
RIDADR: 1544
HazardClass: 6.1(a)
PackingGroup: II

Retrorsine-N-oxide Specification

Retrorsine-N-oxide (CAS NO.15503-86-3) is also called 12,18-Dihydroxysenecionan-11,16-dione 4-oxide ; 12,18-Dihydroxysenecionan-11,16-dione-4-oxide ; 4-27-00-06664 (Beilstein Handbook Reference) ; BRN 0058804 ; CCRIS 4339 ; HSDB 3499 ; Isatidine ; Retrorsine N-oxide ; Retrorsine oxide ; Senecionan-11,16-dione, 12,18-dihydroxy-, 4-oxide ; cis-Retronecic acid ester of retronecine-N-oxide ; trans-15-Ethylidene-12beta-hydroxy-12alpha-hydroxymethyl-
13beta-methylsenec-1-enine-4-oxide .

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