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[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

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​.cam​ing​.com/), and here is the cor­re­spond­ing linkhttp://​www​.cam​ing​.com/​P​n​e​u​m​o​c​a​n​din B0 CAS 135575-42-7/

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