Identification
Properties
Safety Data
Specifications and Other Information
Links
Identification
CAS Number
135575-42-7
Name
Pneumocandin B0
Synonyms
1H-Dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacycloheneicosine-20-propanamide, 23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-9-[(10,12-dimethyl-1-oxotetradecyl)amino]tetracosahydro-β,2,11
,12,15-pentahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxo-, (βR,2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)- [ACD/Index Name]
1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacycloheneicosine-20-propanamide, 23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-9-[(10,12-dimethyl-1-oxotetradecyl)amino]tetracosahydro-β,2,11,12,15-pentahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxo-, (βR,2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-
N-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-Amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25- hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamid [German] [ACD/IUPAC Name]
N-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-Amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25- hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide [ACD/IUPAC Name]
N-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-Amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphényl)éthyl]-2,11,12,15-tétrahydroxy-6-[(1R)-1-hydroxyéthyl]-5,8,14,19,22,25- hexaoxotétracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohénicosin-9-yl}-10,12-diméthyltétradécanamide [French] [ACD/IUPAC Name]
N-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide
[135575-42-7]
10,12-Dimethyl-tetradecanoic acid [3-(2-carbamoyl-1-hydroxy-ethyl)-6-[1,2-dihydroxy-2-(4-hydroxy-phenyl)-ethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxy-ethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaaza-tricyclo[22.3.0.0*9,13*]heptacos-18-yl]-amide
10,12-Dimethyl-tetradecanoic acid [3-(2-carbamoyl-1-hydroxy-ethyl)-6-[1,2-dihydroxy-2-(4-hydroxy-phenyl)-ethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxy-ethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaaza-tricyclo[22.3.0.09,13]heptacos-18-yl]-amide
135575-42-7 [RN]
1N-[20-(2-carbamoyl-1-hydroxyethyl)-23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxoperhydrodipyrrolo[2,1-c:2,1-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl]-10,12-dimethyltetradecanam
MFCD00898510
Pneumocandin B0
Molecular Structure
SMILES
CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](c4ccc(cc4)O)O)O)[C@@H](CC(=O)N)O)O)O)O
StdInChI
InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25?,26?,27-,30-,31+,32+,33+,34-,35-,38+,39+,40+,41+,42+,43+,46-/m1/s1
StdInChIKey
DQXPFAADCTZLNL-ZESADUFFSA-N
Molecular Formula
C50H80N8O17
Molecular Weight
1065.2136
Properties
Appearance
Off white powder
Specifications and Other Information of Our Pneumocandin B0 CAS 135575-42-7
Standard
Enterprise standard
Identification Methods
IR,HPLC
Assay
95%~105%
Residue on ignition
≤0.15%
Heavy metal
≤20ppm
Max unknown impurity
≤1.0%
Total impurity
≤5.0%
PneumocandinA
≤1.8%
PneumocandinB
≤0.6%
PneumocandinC
≤0.05%
PneumocandinC0
≤0.1%
Ethanol solvent
≤0.5%
Methanol solvent
≤0.5%
Storage
Under the room temperature and away from light
Application
Used as the pharmaceutical intermediates of the Caspofungin which is a lyophilized preparation. There are 3 steps from this intermediate to the drug substance.
General View of Documents
Links
This product is developed by our RandD company Caming Pharmaceutical Ltd(http://www.caming.com/), and here is the corresponding linkhttp://www.caming.com/Pneumocandin B0 CAS 135575-42-7/
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andD purpose. It may be toxic or hazardous, and should be handled only by qualified individuals trained in laboratory procedures. The buyer will be responsible to warn and inform any person that may be in contact with the product of the potential risks and hazards, as well as to ensure that purchase, use and disposal of the product comply with local laws and regulations.