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24380-21-0

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Basic Information
CAS No.: 24380-21-0
Name: Erythromycin sulfamate
Molecular Structure:
Molecular Structure of 24380-21-0 (Erythromycin sulfamate)
Formula: C37H67NO13•H3NO3S
Molecular Weight: 831.15
Density: g/cm3
Melting Point: 115-121 °C
Boiling Point: 818.4°Cat760mmHg
Flash Point: 448.8°C
Safety: Poison by intravenous route. Moderately toxic by intraperitoneal route. When heated to decomposition it emits very toxic fumes of SOx and NOx. See also ERYTHROMYCIN.
PSA: 282.68000
LogP: 2.31460
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    ERYTHROMYCIN SULFAMATE (SALT)

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Chemistry

Molecule structure of Erythromycin sulfamate (salt) (CAS NO.24380-21-0) :

IUPAC Name: (2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione; sulfamic acid 
Molecular Weight: 831.0205 g/mol
Molecular Formula: C37H70N2O16S
Boiling Point: 818.4 °C at 760 mmHg  
Flash Point: 448.8 °C
Enthalpy of Vaporization: 135.4 kJ/mol
Vapour Pressure: 4.94E-31 mmHg at 25 °C
H-Bond Donor: 7
H-Bond Acceptor: 18
Rotatable Bond Count: 7
Tautomer Count: 3
Exact Mass: 830.444605
MonoIsotopic Mass: 830.444605
Topological Polar Surface Area: 274
Heavy Atom Count: 56
Complexity: 1270
Defined Atom StereoCenter Count: 18
Isomeric SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H]
(C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O.NS(=O)(=O)O
InChIKey of Erythromycin sulfamate (salt) (CAS NO.24380-21-0) : AFMZWSYYPCLGPM-YZPBMOCRSA-N

Toxicity Data With Reference

1.    

ivn-rat LD50:127 mg/kg

     CMTRAG    Chemotherapia. 5 (1962),144.
2.    

ipr-mus LD50:480 mg/kg

     CMTRAG    Chemotherapia. 5 (1962),144.
3.    

ivn-mus LD50:217 mg/kg

     CMTRAG    Chemotherapia. 5 (1962),144.

Safety Profile

Poison by intravenous route. Moderately toxic by intraperitoneal route. When heated to decomposition it emits very toxic fumes of SOx and NOx. See also ERYTHROMYCIN.

Specification

 Erythromycin sulfamate (salt) (CAS NO.24380-21-0) is also called Erythromycin sulfamate .