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Distamycin A/5

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Name

Distamycin A/5

EINECS N/A
CAS No. 35967-49-8 Density 1.47g/cm3
PSA 249.12000 LogP 4.20430
Solubility N/A Melting Point N/A
Formula C34H39 N13 O6 Boiling Point °Cat760mmHg
Molecular Weight 762.32 Flash Point °C
Transport Information N/A Appearance N/A
Safety Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl. Risk Codes N/A
Molecular Structure Molecular Structure of 35967-49-8 (N-(5-{[5-({5-[(5-{[(3Z)-3-amino-3-iminopropyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-4-(formylamino)-1-methyl-1H-pyrrole-2-carboxamide) Hazard Symbols N/A
Synonyms

Distamycin5; Distamycin A5

 

Distamycin A/5 Chemical Properties

Molecule structure of Distamycin A/5 (CAS NO.35967-49-8) :

IUPAC Name: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide 
Molecular Weight: 725.75696 g/mol
Molecular Formula: C34H39N13O
Density: 1.47 g/cm3
Index of Refraction: 1.714
Molar Refractivity: 192.62 cm3
Molar Volume: 490.6 cm3
Polarizability: 76.36*10-24 cm3
Surface Tension: 64.9 dyne/cm
XLogP3-AA: -2
H-Bond Donor: 8
H-Bond Acceptor: 8
Rotatable Bond Count: 13
Tautomer Count: 64
Exact Mass: 725.314626
MonoIsotopic Mass: 725.314626
Topological Polar Surface Area: 249
Heavy Atom Count: 53
Complexity: 1400
Canonical SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)
NC5=CN(C(=C5)C(=O)NCCC(=N)N)C)C)C)C)NC=O
InChI: InChI=1S/C34H39N13O6/c1-43-13-19(38-18-48)8-25(43)31(50)40-21-10-27(45(3)15-21)33(52)42-23-12-28(47(5)17-23)34(53)41-22-11-26(46(4)16-22)32(51)39-20-9-24(44(2)14-20)30(49)37-7-6-29(35)36/h8-18H,6-7H2,1-5H3,(H3,35,36)(H,37,49)(H,38,48)(H,39,51)(H,40,50)(H,41,53)(H,42,52)
InChIKey of Distamycin A/5 (CAS NO.35967-49-8) : MOVYQMBBJIUACM-UHFFFAOYSA-N

Distamycin A/5 Toxicity Data With Reference

1.    

dnd-esc 200 µmol

    EJBCAI    European Journal of Biochemistry. 26 (1972),81.
2.    

dnd-omi 200 µmol

    EJBCAI    European Journal of Biochemistry. 26 (1972),81.
3.    

dni-mus:lym 600 nmol/L

    CBINA8    Chemico-Biological Interactions. 8 (1974),183.

Distamycin A/5 Safety Profile

Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl.

Distamycin A/5 Specification

 Distamycin A/5 (CAS NO.35967-49-8) is also called N,4':N',4'':N'',4''':N''',4''''-Penta(pyrrole-2-carboxamide), N''''-(2-amidinoethyl)-4-formamido-1,1',1'',1''',1''''-pentamethyl-, hydrochloride .

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