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1403-47-0

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Basic Information
CAS No.: 1403-47-0
Name: (Z,5S)-5-acetamido-5-carboxy-1-diazonio-pent-1-en-2-olate
Molecular Structure:
Molecular Structure of 1403-47-0 ((Z,5S)-5-acetamido-5-carboxy-1-diazonio-pent-1-en-2-olate)
Formula: C8H11N3O4
Molecular Weight: 0
Synonyms: (Z,5S)-5-acetamido-5-carboxy-1-diazonio-pent-1-en-2-olate
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: An experimental teratogen. Other experimental reproductive effects.
PSA: 121.10000
LogP: 0.11398
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Chemistry

Molecule structure of Duazomycin (CAS NO.1403-47-0) :

IUPAC Name: (Z,5S)-5-acetamido-1-diazonio-6-hydroxy-6-oxohex-1-en-2-olate 
Molecular Weight: 213.19064 g/mol
Molecular Formula: C8H11N3O4
XLogP3-AA: 1
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 213.074956
MonoIsotopic Mass: 213.074956
Topological Polar Surface Area: 118
Heavy Atom Count: 15
Complexity: 328
Defined Atom StereoCenter Count: 1
Defined Bond StereoCenter Count: 1
Covalently-Bonded Unit Count: 1
Canonical SMILES: CC(=O)NC(CCC(=C[N+]#N)[O-])C(=O)O
Isomeric SMILES: CC(=O)N[C@@H](CC/C(=C/[N+]#N)/[O-])C(=O)O
InChI: InChI=1S/C8H11N3O4/c1-5(12)11-7(8(14)15)3-2-6(13)4-10-9/h4,7H,2-3H2,1H3,(H2-,11,12,13,14,15)/b6-4-/t7-/m0/s1
InChIKey of Duazomycin (CAS NO.1403-47-0) : OJRZEKJECRTBPJ-NGAMADIESA-N

Safety Profile

An experimental teratogen. Other experimental reproductive effects.

Specification

 Duazomycin (CAS NO.1403-47-0) is also called Duazomicina [INN-Spanish] ; Duazomycine [INN-French] ; Duazomycinum [INN-Latin] .