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Cas Database

Name	Stallimycin	EINECS	N/A
CAS No.	636-47-5	Density	1.45g/cm³
PSA	181.06000	LogP	2.87670
Solubility	N/A	Melting Point	154-156°
Formula	C22H27 N9 O4	Boiling Point	579.2°C (rough estimate)
Molecular Weight	481.514	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety	Poison by ingestion. Moderately toxic by intraperitoneal route. Human mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	N,4':N',4''-Ter[pyrrole-2-carboxamide],N''-(2-amidinoethyl)-4-formamido-1,1',1''-trimethyl- (7CI,8CI); Distamycin 3;Distamycin A; NSC 82150; Stallimycin	Article Data	1

Stallimycin Chemical Properties

Molecule structure of Stallimycin (CAS NO.636-47-5) :

IUPAC Name: N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxamide
Molecular Weight: 481.50768 g/mol
Molecular Formula: C₂₂H₂₇N₉O₄
Density: 1.45 g/cm³
Index of Refraction: 1.69
Molar Refractivity: 127.05 cm³
Molar Volume: 332 cm³
Polarizability: 50.36×10^-24 cm³
Surface Tension: 62.9 dyne/cm
XLogP3-AA: -1.8
H-Bond Donor: 6
H-Bond Acceptor: 6
Rotatable Bond Count: 9
Tautomer Count: 16
Exact Mass: 481.2186
MonoIsotopic Mass: 481.2186
Topological Polar Surface Area: 181
Heavy Atom Count: 35
Complexity: 825
Canonical SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC=O
InChI: InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
InChIKey of Stallimycin (CAS NO.636-47-5) : UPBAOYRENQEPJO-UHFFFAOYSA-N

Stallimycin Toxicity Data With Reference

1.	dni-omi 25 mg/L	JMCMAR Journal of Medicinal Chemistry. 23 (1980),1144.
2.	oms-hmn:fbr 100 mg/L	GICTAL Giornale Italiano di Chemioterapia. Italian Journal of Chemotherapy. 30 (1983),39.
3.	ipr-mus LD50:500 mg/kg	85FZAT Index of Antibiotics from Actinomycetes Umezawa, H., et al., eds.,Tokyo, Japan.: University of Tokyo Press,1967,258.
4.	orl-bwd LD50:72 mg/kg	AECTCV Archives of Environmental Contamination and Toxicology. 12 (1983),355.

Stallimycin Safety Profile

Poison by ingestion. Moderately toxic by intraperitoneal route. Human mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.

Stallimycin Specification

Stallimycin (CAS NO.636-47-5) is also called BRN 0468437 ; DST-A ; Distamicina A ; Distamycin 3 ; Estalimicina ; FI 6426 ; Herperetin ; N''-(2-Amidinoethyl)-4-formamido-1,1',1''-trimethyl-N-4':N'-4''-ter-(2-pyrrolcarboxamid) ; NSC 150528 ; NSC 82150 ; Stallimicina ; Stallimycine ; Stallimycinum ; UNII-80O63P88IS ; (N,4':N',4''-Terpyrrole)-2-carboxamide, N''-(2-
amidinoethyl)-4-formamido-1,1',1''-trimethyl- ; 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-(formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl- (9CI) .

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