- Distamycin
- DISTAMYCIN A HYDROCHLORIDE
- Distamycin A/4
- Distamycin A/5
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Cas Database |
| Name |
Distamycin A/4 |
EINECS | N/A |
| CAS No. | 13696-04-3 | Density | 1.46g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C28H33N11O5•ClH | Boiling Point | N/A |
| Molecular Weight | 640.18 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Article Data | 2 |
Distamycin A/4 Chemical Properties
Molecule structure of Distamycin A/4 (CAS NO.13696-04-3) :
IUPAC Name: N-[5-[(3-amino-3-iminopropyl)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: 603.63232 g/mol
Molecular Formula: C28H33N11O5
Density: 1.46 g/cm3
Index of Refraction: 1.704
Molar Refractivity: 159.84 cm3
Molar Volume: 411.4 cm3
Polarizability: 63.36*10-24 cm3
Surface Tension: 64 dyne/cm
XLogP3-AA: -1.9
H-Bond Donor: 7
H-Bond Acceptor: 7
Rotatable Bond Count: 11
Tautomer Count: 32
Exact Mass: 603.266613
MonoIsotopic Mass: 603.266613
Topological Polar Surface Area: 215
Heavy Atom Count: 44
Complexity: 1110
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)
NCCC(=N)N)C)C)C)NC=O
InChI: InChI=1S/C28H33N11O5/c1-36-11-16(32-15-40)7-21(36)26(42)34-18-9-23(38(3)13-18)28(44)35-19-10-22(39(4)14-19)27(43)33-17-8-20(37(2)12-17)25(41)31-6-5-24(29)30/h7-15H,5-6H2,1-4H3,(H3,29,30)(H,31,41)(H,32,40)(H,33,43)(H,34,42)(H,35,44)
InChIKey of Distamycin A/4 (CAS NO.13696-04-3) : JIZIWJXHFAWHNY-UHFFFAOYSA-N
Distamycin A/4 Toxicity Data With Reference
| 1. | add-esc 200 µmol | EJBCAI European Journal of Biochemistry. 26 (1972),81. | ||
| 2. | add-uns 200 µmol | EJBCAI European Journal of Biochemistry. 26 (1972),81. | ||
| 3. | dni-mus-lym 1900 nmol/L | CBINA8 Chemico-Biological Interactions. 8 (1974),183. | ||
| 4. | add-unr-lym 200 µmol | EJBCAI European Journal of Biochemistry. 26 (1972),81. |
Distamycin A/4 Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.
Distamycin A/4 Specification
Distamycin A/4 (CAS NO.13696-04-3) is also called N,4':N,4'':N'',4'''-Quater(pyrrole-2-carboxamide), N'''-(2-amidinoethyl)-4-formamido-1,1',1'',1'''-tetramethyl- ; 1H-Pyrrole-2-carboxamide, N-(5-(((5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-(formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl- ; N,4':N',4'':N'',4'''-Tetra(pyrrole-2-carboxamide), N'''-(2-amidinoethyl)-4-formamido-1,1',1'',1'''-tetramethyl-, hydrochloride .
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