Chem
J-GLOBAL ID:200907053766384443
Nikkaji number:J1.408.120H
BMS-247550
BMS-247550
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C27 H42 N2 O5 S
Molecular formula furigana:
C27-H42-N2-O5-S
Molecular weight:
506.700
InChI:
InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24?,27+/m0/s1
InChI key:
FABUFPQFXZVHFB-QBNZTRRJSA-N
SMILES:
C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)C1O)/C(=C/c1csc(C)n1)/C
Systematic name (5):
(1S,3S,16R)-3β-[(E)-1-メチル-2-(2-メチル-4-チアゾリル)エテニル]-7α,11β-ジヒドロキシ-8,8,10α,12β,16-ペンタメチル-4-アザ-17-オキサビシクロ[14.1.0]ヘプタデカン-5,9-ジオン
(4S,7R,8S,9S,13R,14S,16S)-4,8-ジヒドロキシ-5,5,7,9,13-ペンタメチル-16-[(E)-1-メチル-2-(2-メチル-4-チアゾリル)エテニル]-13,14-エポキシ-1-アザシクロヘキサデカン-2,6-ジオン
(1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-メチル-2-(2-メチル-4-チアゾリル)エテニル]-7,11-ジヒドロキシ-8,8,10,12,16-ペンタメチル-4-アザ-17-オキサビシクロ[14.1.0]ヘプタデカン-5,9-ジオン
(1S,3S,7S,10R,11S,12S,16R)-7,11-ジヒドロキシ-8,8,10,12,16-ペンタメチル-3-[(1E)-1-(2-メチル-1,3-チアゾール-4-イル)プロパ-1-エン-2-イル]-17-オキサ-4-アザビシクロ[14.1.0]ヘプタデカン-5,9-ジオン
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
Other name (13):
(1S,3S,16R)-3β-[(E)-1-Methyl-2-(2-methyl-4-thiazolyl)ethenyl]-7α,11β-dihydroxy-8,8,10α,12β,16-pentamethyl-4-aza-17-oxabicyclo[14.1.0]heptadecane-5,9-dione
BMS-247550
(4S,7R,8S,9S,13R,14S,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-13,14-epoxy-1-azacyclohexadecane-2,6-dione
アザエポチロンB
Azaepothilone B
イキサベピロン
Ixabepilone
(1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-Methyl-2-(2-methyl-4-thiazolyl)ethenyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4-aza-17-oxabicyclo[14.1.0]heptadecane-5,9-dione
イグザベピロン
イクセンプラ
イグゼンプラ
Ixempra
BMS-247550-1
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CAS registry number:
219989-84-1
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