Structure of Pneumocandin B0 CAS 135575 42 7 - Pneumocandin B0 CAS 135575-42-7

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

Structure of Pneumocandin B0 CAS 135575 42 7 - Pneumocandin B0 CAS 135575-42-7

Structure of Pneumocandin B0 CAS 135575-42-7

SMILES

CCC(C)CC(C)CCCCCCCCC(=O)N[[email protected]]1C[[email protected]]([[email protected]](NC(=O)[[email protected]@H]2[[email protected]](CCN2C(=O)[[email protected]@H](NC(=O)[[email protected]@H](NC(=O)[[email protected]@H]3C[[email protected]](CN3C(=O)[[email protected]@H](NC1=O)[[email protected]@H](C)O)O)[[email protected]@H]([[email protected]](c4ccc(cc4)O)O)O)[[email protected]@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

HPLC of Pneumocandin B0 CAS 135575 42 7 - Pneumocandin B0 CAS 135575-42-7
HPLC of Pneumocandin B0 CAS 135575-42-7

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.