Products 1534341-95-1

CAS 1534341-95-1 appears in our catalog under these names: Eribulin Impurity 10, Eribulin mesylate Impurity 4. Offered by: Chemat Brand. Available pack sizes: on request.

Eribulin Impurity 10
Chemat Brand
  • size: on request
  • Variants: 1
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Eribulin mesylate Impurity 4
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2R)-2-amino-3-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one (CAS 1534341-95-1) is a chemical compound with the molecular formula C40H59NO11 and a molecular weight of 729.9 g/mol. IUPAC name: (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2R)-2-amino-3-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one. InChIKey: IFNHEGFHLUWDNC-SHHXYUCWSA-N.

Identity
Molecular formulaC40H59NO11
Molecular weight729.9 g/mol
IUPAC name(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2R)-2-amino-3-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one
InChIKeyIFNHEGFHLUWDNC-SHHXYUCWSA-N
SMILESC[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@H](CO)N

Computed by PubChem (NCBI)

Synonyms: Eribulin Impurity 7, Eribulin Mesylate Impurity 4
Isomers (same molecular formula)
(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one C40H59NO11