Fidaxomicin | CAS No. 873857-62-6

Basic Information

CAS Number

873857-62-6

Molecular Formula

C52H74Cl2O18

Molecular Weight

1058.05 g/mol

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Basic Physical Properties

Melting Point

159.0 to 163.0 deg-C

Density

1.33

SMILES

CCC1C=C(C(CC=CC=C(C(=O)OC(CC=C(C=C(C1OC2C(C(C(C(O2)(C)C)OC(=O)C(C)C)O)O)C)C)C(C)O)COC3C(C(C(C(O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)C

InChI

InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1

InChIKey

ZVGNESXIJDCBKN-UUEYKCAUSA-N

LogP

6.234400000000011

Topological Polar Surface Area

266.65999999999997 Å²

Hydrogen Bond Donor/Acceptor

7 / 18

Complexity

1970

Classification & Uses

Chemical Classification

Pharmaceutical Products APIs & Intermediates Intermediates

Safety Information

Hazard Statement

H302-H315-H319-H335

Synonyms & References

English

FIDAXOMICIN [WHO-DD]
Lipiarmycin A 3
Lipiarmicin
(2R,3S,4S,5S,6R)-6-{[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-{[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy}-4-hydroxy-5-methoxy-2-methyloxan-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
Lipiarrmycin
A07AA12
Clostomycin B1
Lipiarmycin
Fidaxomicina
CHEBI:68590
Difimicin
GTPL10909
OPT-80;PAR-101;Clostomicin B1;Tiacumicin B
EN300-21995976
Clostomicin B1
Dificlir
56645-60-4
F1216
FIDAXOMICIN [MI]
Q5446672
AKOS040758974
873857-62-6
Fidaxomicin, >=98% (HPLC)
Fidaxomicin (Dificid)
[(2R,3S,4S,5S,6R)-6-[[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
Fidaxomicin
FIDAXOMICIN [INN]
FI8
CHEMBL1255800
PAR 01
R-Tiacumicin B
Tiacumicin B
Dificid
SCHEMBL10000818
Fidaxomicin [USAN]
PAR-101
Fidaxomicin [USAN:INN]
BRN 5228707
Z5N076G8YQ
FIDAXOMICIN [ORANGE BOOK]
FIDAXOMICIN [JAN]
DTXSID901016415
OPT-80
Lipiarmycin A3
1ST169310
fidaxomicinum
(3E,5E,8S,9E,11S,12R,13E,15E,18S)-3-(((6-Deoxy-4-O-(3,5-dichloro-2-ethyl-4,6-dihydroxybenzoyl)-2-O-methyl-beta-D-mannopyranosyl)oxy)methyl)-12-((6-deoxy-5-C-methyl-4-O-(2-methylpropanoyl)-beta-D-lyxo-hexopyranosyl)oxy)-11-ethyl-8-hydroxy-18-((1R)-1-hydroxyethyl)-9,13,15-trimethyloxacyclooctadeca-3,5,9,13,15-pentaen-2-one
UNII-Z5N076G8YQ
fidaxomicine
FIDAXOMICIN [VANDF]
DTXCID801474599
DB08874
3-(((6-Deoxy-4-O-(3,5-dichloro-2-ethyl-4,6-dihydroxybenzoyl)-2-O-methyl-b-D-mannopyranosyl)oxy)-methyl)-12(R)-[(6-deoxy-5-C-methyl-4-O-(2-methyl-1-oxopropyl)-b-D-lyxo-hexopyranosyl)oxy]-11(S)-ethyl-8(S)-hydroxy-18(S)-(1(R)-hydroxyethyl)-9,13,15-trimethyloxacyclooctadeca-3,5,9,13,15-pentaene-2-one
Fidaxomycin
[(2R,3S,4S,5S,6R)-6-[[(3E,5Z,8S,9E,11S,12R,13E,15E,18S)-12-[(2R,3S,4R,5S)-3,4-Dihydroxy-6,6-dimethyl

Beilstein_Registry_Number

5228707

MDL_Number

MFCD27976367

CAS Number

873857-62-6

Supplier Information

Supplier Name	Member Level	Authentication Status	Main Category	MOQ	Action
China - Beijing Solabe Technology Co., Ltd.
China - Zhongxian County Yaowei Biotechnology Co., Ltd.
China - Guangzhou Lüxuan Water Treatment Agent Co., Ltd.
Germany - Evonik Industries AG
China - Liaoning Ruixing Chemical Group Co., Ltd.
United Kingdom - Mixing Solutions Ltd
China - Hubei Guo Heng Medicine Technology Co., Ltd.
China - Shanghai Xian Ding Biological Science and Technology Co., Ltd.