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Antibiotic fr 1923

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Name

Antibiotic fr 1923

EINECS N/A
CAS No. 39391-39-4 Density 1.57g/cm3
PSA 212.08000 LogP 0.93330
Solubility N/A Melting Point 214-216° (dec)
Formula C23H24N4O9 Boiling Point 591.34°C (rough estimate)
Molecular Weight 500.465 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Moderately toxic by intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 39391-39-4 ((3S,αR)-3-[[[4-[(R)-3-Amino-3-carboxypropoxy]phenyl]-[(Z)-hydroxyimino]acetyl]amino]-α-(4-hydroxyphenyl)-2-oxo-1-azetidineacetic acid) Hazard Symbols N/A
Synonyms

Nocardicin A;ANTIBIOTIC FR 1923;

Article Data 4

Antibiotic fr 1923 Chemical Properties

Molecule structure of Antibiotic fr 1923 (CAS NO.39391-39-4) :

IUPAC Name: (2R)-2-amino-4-[4-[(Z)-N-hydroxy-C-[[(3S)-1-[(1R)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethyl]-2-oxoazetidin-3-yl]carbamoyl]carbonimidoyl]phenoxy]butanoic acid 
Molecular Weight: 500.45806 g/mol
Molecular Formula: C23H24N4O9 
Density: 1.57 g/cm3
Index of Refraction: 1.685
Molar Refractivity: 121.08 cm3
Molar Volume: 318.5 cm3
Polarizability: 48 10-24cm3
Surface Tension: 70.6 dyne/cm 
XLogP3-AA: -1.1
H-Bond Donor: 6
H-Bond Acceptor: 11
Rotatable Bond Count: 11
Tautomer Count: 10
Exact Mass: 500.154328
MonoIsotopic Mass: 500.154328
Topological Polar Surface Area: 212
Heavy Atom Count: 36
Complexity: 851
Defined Atom StereoCenter Count: 3
Isomeric SMILES: C1[C@@H](C(=O)N1[C@H](C2=CC=C(C=C2)O)C(=O)O)NC(=O)/C(=N\O)/C3=CC=C(C=C3)
OCC[C@H](C(=O)O)N
InChI: InChI=1S/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/b26-18-/t16-,17+,19-/m1/s1
InChIKey: CTNZOGJNVIFEBA-UPSUJEDGSA-N

Antibiotic fr 1923 Toxicity Data With Reference

1.    

ipr-rat LD50:2600 mg/kg

    85ERAY    Antibiotics: Origin, Nature, and Properties. 1 (1978),897.
2.    

scu-rat LD50:3100 mg/kg

    85ERAY    Antibiotics: Origin, Nature, and Properties. 1 (1978),897.
3.    

ipr-mus LD50:2500 mg/kg

    85ERAY    Antibiotics: Origin, Nature, and Properties. 1 (1978),897.
4.    

scu-mus LD50:2900 mg/kg

    85ERAY    Antibiotics: Origin, Nature, and Properties. 1 (1978),897.
5.    

ivn-mus LD50:2100 mg/kg

    85ERAY    Antibiotics: Origin, Nature, and Properties. 1 (1978),897.

Antibiotic fr 1923 Safety Profile

Moderately toxic by intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.

Antibiotic fr 1923 Specification

The synonyms of Antibiotic fr 1923 (CAS NO.39391-39-4) are (3S,αR)-3-[[[4-[(R)-3-Amino-3-carboxypropoxy]phenyl]-[(Z)-hydroxyimino]acetyl]amino]-α-(4-hydroxyphenyl)-2-oxo-1-azetidineacetic acid ; (3S,αR)-3β-[[[4-[(3R)-3-Amino-3-carboxypropoxy]phenyl][(Z)-hydroxyimino]acetyl]amino]-α-(4-hydroxyphenyl)-2-oxo-1-azetidineacetic acid ; FR-1923 ; FR-1923C ; Nocardicin A . Antibiotic fr 1923 (CAS NO.39391-39-4) is moderate toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.

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