CAS: 561-20-6 - Cacotheline

Formula: C₂₁H₂₁N₃O₇

InChI: InChI=1S/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)/t10-,13-,14-,16-,20-,21+/m0/s1

InChI key: InChIKey=IVEMPCACOMNRGI-OFDJEBHLSA-N

SMILES: O=C1C=C2C(NC3C4C(OCC=C5CN6CCC23C6CC54)CC(=O)O)=C(C1=O)N(=O)=O

Synonyms:

• (9-Nitro-7,8-Dioxo-15-Oxa-1,11-Diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]Docosa-5,9,17-Trien-14-Yl)Acetic Acid (Non-Preferred Name)
• (βS,16β)-19,20-Didehydro-β,18-epoxy-10,11-dihydro-12-nitro-10,11-dioxo-17-norcuran-16-propanoic acid
• 17-Norcuran-16-propanoic acid, 19,20-didehydro-beta,18-epoxy-10,11-dihydro-12-nitro-10,11-dioxo-, (betaS,16beta)-
• 17-Norcuran-16-propanoic acid, 19,20-didehydro-β,18-epoxy-10,11-dihydro-12-nitro-10,11-dioxo-, (βS,16β)-
• 7,9-Methano-7H-oxepino(3,4-a)pyrrolo(2,3-d)carbazole-13-acetic acid, 2,3,5,6,7a,8,8a,11,13,13a,13b,14-dodecahydro-1-nitro-2,3-dioxo-, (4bS,7S,7aS,8aR,13S,13aR,13bS)-
• 9,10-Secostrychnidin-10-oic acid, 2,3-dihydro-4-nitro-2,3-dioxo-
• Ai3-18782
• Kacotheline
• Nsc 5069
• [(4S,12S,13R,14S,19R,21S)-9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,9,17-trien-14-yl]acetic acid (non-preferred name)

Cacotheline Monohydrate

CAS: 561-20-6

• Formula: C₂₁H₂₁N₃O₇·HNO₃·H₂O
• Purity: >98.0%(T)
• Color and Shape: Light yellow to Brown powder to crystal
• Molecular weight: 508.45

Cacotheline Monohydrate

CAS: 561-20-6

Cacotheline Monohydrate is a glycopeptide antibiotic that contains an amino sugar, a sugar residue and …

• Formula: C₂₁H₂₁N₃O₇·HNO₃·H₂O
• Purity: Min. 95%
• Molecular weight: 508.45 g/mol