Account Echinocandin B Nucleus Hydrochloride
- Catalog No. :
- ACZYKM703
- CAS No. :
- 1029890-89-8
- Molecular Formula :
- C34H52ClN7O15
- Molecular Weight :
- 834.28
IUPAC Name:(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-amino-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexaone hydrochloride
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Product Information
| Product Name | Echinocandin B Nucleus Hydrochloride |
|---|---|
| IUPAC Name | (2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-amino-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexaone hydrochloride |
| MDL No. | MFCD32263007 |
| Molecular Formula | C34H52ClN7O15 |
| Molecular Weight | 834.28 |
| SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@H]([C@H](O)[C@@H](O)C2=CC=C(O)C=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](N)C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C1=O.Cl |
| InChI Key | FKIXKMLIKIOEJP-WJXYPMDHSA-N |
| Synonym | 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B hydrochloride (1:1);Echinocandin B nucleus hydrochloride;ECBN;ECBN HCL;1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B hydrochloride;1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B hydrochloride (1;Anidulafungin Nucleus;CS-2380 |
| CAS No. | 1029890-89-8 |
Synthetic Route by SureRoute
2. ACZYKM703 Molecular Building Block Synthetic Route
(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-amino-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexaone
(10R,12S)-N-((2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-((R)-3-Amino-1-hydroxy-3-oxopropyl)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6-((R)-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
5-((1S,2S)-2-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-Amino-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)-1,2-dihydroxyethyl)-2-hydroxyphenyl hydrogen sulfate