Methyl (5R)-5-[(1S,2S)-2-chloro-1-({[(2S,4R)-4-ethyl-2-piperidinyl]carbonyl}amino)propyl]-1-thio-beta-L-arabinopyranoside hydrochloride hydrate

Basic Information

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CAS Number

78822-40-9

Molecular Formula

C17H34Cl2N2O6S

Molecular Weight

465.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

>198°C (dec.)

Specific Rotation

D25 +176° (US 4278789); D25 +181°

SMILES

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CCC1CCNC(C1)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.Cl

InChI

InChI=1S/C17H31ClN2O5S.ClH.H2O/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3;;/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24);1H;1H2/t8-,9+,10-,11+,12-,13+,14+,15+,17+;;/m0../s1

InChIKey

CHAZSEMQYSZBFN-RWMVMHIMSA-N

LogP

-0.3555999999999985

Topological Polar Surface Area

142.55 Å²

Hydrogen Bond Donor/Acceptor

7 / 8

Complexity

474

Safety Information

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Toxicity

LD50 i.p. in mice: 600 mg/kg (Birkenmeyer, 1984)

Synonyms & References

English

CS-0091045
PIRLIMYCIN HYDROCHLORIDE ANHYDROUS [MI]
Q27283517
UNII-M5OP0556CW
U 57930E
L-THREO-.ALPHA.-D-GALACTO-OCTOPYRANOSIDE, METHYL 7-CHLORO-6,7,8-TRIDEOXY-6-(((4-ETHYL-2-PIPERIDINYL)CARBONYL)AMINO)-1-THIO-, MONOHYDROCHLORIDE, (2S-CIS)-
Pirlimycin Hydrochloride
L-threo-alpha-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(((4-ethyl-2-piperidinyl)carbonyl)amino)-1-thio-, monohydrochloride, (2S-cis)-
HY-106597A
Pirlimicyn hydrochloride 1000 microg/mL in Acetonitrile:Water
DTXSID201000065
SCHEMBL204862
L-threo-?-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[(4-ethyl-2-piperidinyl)carbonyl]amino]-1-thio-, monohydrochloride, (2S-cis)-; L-threo-?-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-4-ethyl-2-piperidinyl]carbonyl]amino]-1-thio-, monohydrochloride (9CI); Pirlimycin hydrochloride; Pirsue; U 57930E
M5OP0556CW
(cis)-!Methyl 7-Chloro-6,7,8-trideoxy-6-[[(4-ethyl-2-piperidinyl)carbonyl]amino]-1 -thio-L-threo-alpha-D-galactoomicronctopyranoside! Hydrochloride
U-57930E
L-THREO-.ALPHA.-D-GALACTO-OCTOPYRANOSIDE, METHYL 7-CHLORO-6,7,8-TRIDEOXY-6-((((2S,4R)-4-ETHYL-2-PIPERIDINYL)CARBONYL)AMINO)-1-THIO-, HYDROCHLORIDE (1:1)
L-threo-alpha-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-((((2S,4R)-4-ethyl-2-piperidinyl)carbonyl)amino)-1-thio-, monohydrochloride
METHYL 7-CHLORO-6,7,8-TRIDEOXY-6-CIS-4-ETHYL-L-PIPECOLAMIDO)-1-THIO-L-THREO-.ALPHA.-D-GALACTO-OCTOPYRANOSIDE MONOHYDROCHLORIDE
(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethylpiperidine-2-carboxamide;hydrochloride
78822-40-9
Pirsue
AKOS040747283
cis-4-Ethyl-L-picecolic acid amide of 7-deoxy-7(S)chloromethylthio lincosaminide hydrochloride
Pirlimycin (hydrochloride)
PIRLIMYCIN HYDROCHLORIDE ANHYDROUS
L-threo-a-D-galacto-Octopyranoside, methyl7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-4-ethyl-2-piperidinyl]carbonyl]amino]-1-thio-,hydrochloride (1:1)
L-threo-a-D-galacto-Octopyranoside, methyl7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-4-ethyl-2-piperidinyl]carbonyl]amino]-1-thio-,
Pirlimycin Hydrochlo
PIRLIMYCIN
PIRLIMYCIN HYDROCHLORIDE, ANTIBIOTIC FOR CULTURE MEDIA USE ONLY