Molecular Structure of Azotomycin (CAS NO. 7644-67-9):
IUPAC Name: (2S)-2-[[(2S)-2-[[(4S)-4-Amino-5-hydroxy-5-oxopentanoyl]amino]-5-(3H-diazirin-3-yl)-5-oxopentanoyl]amino]-5-(3H-diazirin-3-yl)-5-oxopentanoic acid
Molecular Formula: C17H23N7O8
Molecular Weight: 453.406620 g/mol
XLogP3-AA: -4.1
H-Bond Donor: 5
H-Bond Acceptor: 13
Canonical SMILES: C(CC(=O)NC(CCC(=O)C1N=N1)C(=O)NC(CCC(=O)C2N=N2)C(=O)O)C(C(=O)O)N
Isomeric SMILES: C(CC(=O)N[C@@H](CCC(=O)C1N=N1)C(=O)N[C@@H](CCC(=O)C2N=N2)C(=O)O)[C@@H](C(=O)O)N
InChI: InChI=1S/C17H23N7O8/c18-7(16(29)30)1-6-12(27)19-8(2-4-10(25)13-21-22-13)15(28)20-9(17(31)32)3-5-11(26)14-23-24-14/h7-9,13-14H,1-6,18H2,(H,19,27)(H,20,28)(H,29,30)(H,31,32)/t7-,8-,9-/m0/s1
InChIKey: RPEPXOHTYVXVMA-CIUDSAMLSA-N
Index of Refraction: 1.75
Molar Refractivity: 102.85 cm3
Molar Volume: 252.2 cm3
Polarizability: 40.77 × 10-24 cm3
Surface Tension: 87.8 dyne/cm
Density: 1.79 g/cm3
BRN of Azotomycin (CAS NO. 7644-67-9): 5669868
1. | ivn-hmn TDLo:192 mg/kg/4 D:GIT | CTRRDO Cancer Treatment Reports. 61 (1977),1719. | ||
2. | orl-mus LDLo:105 mg/kg | ANTBAL Antibiotiki. 18 (1973),332. | ||
3. | ipr-mus LDLo:27 mg/kg | ANTBAL Antibiotiki. 18 (1973),332. | ||
4. | scu-mus LDLo:31 mg/kg | ANTBAL Antibiotiki. 18 (1973),332. | ||
5. | ivn-mus LDLo:99 mg/kg | ANTBAL Antibiotiki. 18 (1973),332. |
Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. Human gastrointestinal tract effects by intravenous route. When heated to decomposition it emits toxic fumes of NOx.
Azotomycin with cas registry number of 7644-67-9 is also called for A 10270B ; Antibiotic 1719 ; Antibiotic produced by Streptomyces ambofaciens ; Azotomicina ; Azotomicina [INN-Spanish] ; Azotomycine ; Azotomycine [INN-French] ; Azotomycinum ; Azotomycinum [INN-Latin] ; Azotomycin [USAN:INN] ; Duamycin B ; Duazomycin B ; NSC 56654 ; NSC-56654 ; Sodium azotomycin ; UNII-6TQY580E8M ; Antibiotic produced by Streptomyces ambofaciens. ; L-Norleucine, 6-diazo-N-(6-diazo-N-L-gamma-glutamyl-5-oxo-L-norleucyl)-5-oxo- .
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