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Basic Information
CAS No.: 7644-67-9
Name: Diazomycin B
Molecular Structure:
Molecular Structure of 7644-67-9 (Diazomycin B)
Formula: C17H23 N7 O8
Molecular Weight: 453.47
Synonyms: DuazomycinB (7CI); L-Norleucine, 6-diazo-N-(6-diazo-N-L-g-glutamyl-5-oxo-L-norleucyl)-5-oxo- (8CI); Antibiotic1719; Azotomycin; NSC 56654
Density: 1.2516 (rough estimate)
Boiling Point: 560.56°C (rough estimate)
Safety: 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.
PSA: 267.74000
LogP: -0.82328
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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

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.

Specification

  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- .