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Basic Information
CAS No.: 1405-90-9
Name: Amphotericin B, 8,9-dideoxy-10-hydroxy-7-oxo-
Molecular Structure:
Molecular Structure of 1405-90-9 (Amphotericin B, 8,9-dideoxy-10-hydroxy-7-oxo-)
Formula: C46H75NO17
Molecular Weight: 914.22
Synonyms: 8,9-Dideoxy-10-hydroxy-7-oxoamphotericin B;Amphotericin B,8,9-dideoxy-10-hydroxy-7-oxo;CANDIDIN;EINECS 215-788-3;
Density: 1.1480 (rough estimate)
Boiling Point: 800.21°C (rough estimate)
Safety: Poison by ingestion, subcutaneous, intraperitoneal, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 316.45000
LogP: 1.62020
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Chemistry

Molecule structure of Candidin (CAS NO.1405-90-9) :

IUPAC Name: (4E,6E,8E,10E,12E,14E,16E)-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-19,25,27,32,33,35,37-heptahydroxy-18,20,21-trimethyl-23,29-dioxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid 
Molecular Weight: 922.06314 g/mol
Molecular Formula: C47H71NO17 
Density: 1.32 g/cm3 
Boiling Point: 1140.7 °C at 760 mmHg 
Flash Point: 643.7 °C
Index of Refraction: 1.601
Molar Refractivity: 239.26 cm3
Molar Volume: 697.5 cm3
Polarizability: 94.85×10-24 cm3
Surface Tension: 69.5 dyne/cm 
Enthalpy of Vaporization: 190.05 kJ/mol
XLogP3-AA: -0.4
H-Bond Donor: 11
H-Bond Acceptor: 18
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 921.4722
MonoIsotopic Mass: 921.4722
Topological Polar Surface Area: 317
Heavy Atom Count: 65
Complexity: 1710
Undefined Atom StereoCenter Count: 18
Defined Bond StereoCenter Count: 7
Covalently-Bonded Unit Count: 1
Canonical SMILES: CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(=O)CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
Isomeric SMILES: CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(C(CCC(=O)CC(CC(CC(=O)
OC(C(C1O)C)C)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
InChI: InChI=1S/C47H71NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-30,32-38,40-44,46,50-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+
InChIKey: IBRQTOKMQLIMRF-QVDADOJXSA-N
EINECS: 215-788-3

Toxicity Data With Reference

1.    

orl-mus LD50:100 mg/kg

     85GDA2    CRC Handbook of Antibiotic Compounds. 2 (1980),288.
2.    

ipr-mus LD50:7 mg/kg

     MEIEDD    Merck Index. 10 (1983),240.
3.    

scu-mus LD50:30 mg/kg

     MEIEDD    Merck Index. 10 (1983),240.
4.    

ivn-mus LD50:1500 µg/kg

     MEIEDD    Merck Index. 10 (1983),240.

Safety Profile

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

Specification

 Candidin (CAS NO.1405-90-9) is also called 8,9-Dideoxy-10-hydroxy-7-oxoamphotericin B ; Candidine ; Amphotericin B, 8,9-dideoxy-10-hydroxy-7-oxo- . Candidin (CAS NO.1405-90-9) is high toxic. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Candidin (CAS NO.1405-90-9) separate from raw materials of food.