BMS 249798

cas: 444197-71-1 — see every product listed under this CAS number, including other names

BMS 249798 (CAS 444197-71-1) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: TRC.

brandTRC
catalog numberTRC-B596055-10MG
cas444197-71-1
size10mg
Need more information?

Ask us about this product — we're happy to help.

Available pack sizes

brand size price
TRC 10mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

(1R,2R,6S,7S,8R,11S,15S)-2,7,11-trihydroxy-2,6,8,10,10-pentamethyl-15-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-14-azabicyclo[11.3.1]heptadec-13-en-9-one (CAS 444197-71-1) is a chemical compound with the molecular formula C27H42N2O5S and a molecular weight of 506.7 g/mol. IUPAC name: (1R,2R,6S,7S,8R,11S,15S)-2,7,11-trihydroxy-2,6,8,10,10-pentamethyl-15-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-14-azabicyclo[11.3.1]heptadec-13-en-9-one. InChIKey: FPCDGGUJVYBNLK-RNERNZGZSA-N.

Identity
Molecular formulaC27H42N2O5S
Molecular weight506.7 g/mol
IUPAC name(1R,2R,6S,7S,8R,11S,15S)-2,7,11-trihydroxy-2,6,8,10,10-pentamethyl-15-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-14-azabicyclo[11.3.1]heptadec-13-en-9-one
InChIKeyFPCDGGUJVYBNLK-RNERNZGZSA-N
SMILESC[C@H]1CCC[C@@]([C@H]2C[C@H](N=C(O2)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)(C)O

Computed by PubChem (NCBI)

Synonyms: Ixabepilone Impurity N1
Related forms of this compound
(1S,2R,6S,7S,8R,11S,15S)-2,7,11-trihydroxy-2,6,8,10,10-pentamethyl-15-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-14-azabicyclo[11.3.1]heptadec-13-en-9-one C27H42N2O5S
Isomers (same molecular formula)
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione C27H42N2O5S
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione C27H42N2O5S
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-[2-(trideuteriomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione C27H42N2O5S

Also listed as

Ixabepilone Impurity 1 Hubei YoungXin CAS 444197-71-1