SPIRAMYCIN | CAS No. 8025-81-8

SPIRAMYCIN

Basic Information

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CAS Number

8025-81-8

Molecular Formula

C43H74N2O14

Molecular Weight

843.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Amorphous

Melting Point

134-137°C

Boiling Point

914℃

Density

1.2100

Water Solubility

Soluble in methanol. Slightly soluble in water

Flash Point

>110°(230°F)

Solubility

ethanol: 50 mg/mL, clear to slightly hazy, light-yellow

Refractive Index

81 ° (C=2, 10% AcOH)

Vapor Pressure

9.9X10-31 mm Hg at 25 °C (est)

Specific Rotation

D20 -80° (methanol)

SMILES

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CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C

InChI

InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1

InChIKey

ACTOXUHEUCPTEW-CEUOBAOPSA-N

LogP

2.3251000000000124

Topological Polar Surface Area

195.37999999999997 Å²

Hydrogen Bond Donor/Acceptor

4 / 16

Complexity

1370

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in rats (mg/kg): 9400 orally; 1000 s.c.; 170 i.v. (Sous)

Synonyms & References

English

033ECH6IFG
HY-100593
NSC-55926
Leucomycin V, 9-O-((2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-
Provamycin
AB00514638
NSC-64393
Rovamycin
Spiramycin I (Contains up to 6% Spiramycin III)
8025-81-8
CCG-270525
NSC-758472
Rovamycine
DTXSID9023594
Foromacidin A
CHEMBL453514
Sequamycin
spiramycin
IL 5902
CS-8166
RP 5337
Rovamicina
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-10-{[(2R,5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (non-preferred name)
Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-
24916-50-5
s5744
SPIRAMYCIN I [MI]
2-[(4R, 5S, 6S, 7R, 9R, 10R, 11E, 13E, 16R)-6-[(2S, 3R, 4R, 5S, 6R)-5-[(2S, 4R, 5S, 6S)-4, 5-dihydroxy-4, 6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R, 5S, 6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9, 16-dimethyl-2-oxo-1-oxacyclohexadeca-11, 13-dien-7-yl]acetaldehyde
Espiramicin
Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, (9(2R,5S,6R))-
UNII-033ECH6IFG