Chem
J-GLOBAL ID：200907070134416457   Nikkaji number：J2.155.474J

Zotarolimus

ゾタロリムス
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： C52H79N5O12
Molecular formula furigana： C52-H79-N5-O12
Molecular weight： 966.227
InChI： InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-30-53-54-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43?,44+,45-,47-,48?,52-/m1/s1
InChI key： CGTADGCBEXYWNE-GYKXXMIGSA-N
SMILES： CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)/[C@@H](O)C(OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)/C(C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@@H]1n1cnnn1
Systematic name  (3)：
  • (42S)-42-デオキシ-42-(1H-テトラゾール-1-イル)ラパマイシン
  • (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-ジヒドロキシ-19,30-ジメトキシ-12-[(2R)-1-[(1S,3R,4S)-3-メトキシ-4-(1H-1,2,3,4-テトラゾール-1-イル)シクロヘキシル]プロパン-2-イル]-15,17,21,23,29,35-ヘキサメチル-11,36-ジオキサ-4-アザトリシクロ[30.3.1.04,9]ヘキサトリアコンタ-16,24,26,28-テトラエン-2,3,10,14,20-ペンタオン
  • (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-12-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
Other name (7)：
  • (42S)-42-Deoxy-42-(1H-tetrazole-1-yl)rapamycin
  • ABT-578
  • ゾタロリムス
  • Zotarolimus
  • エンデバー
Show all
CAS registry number： 221877-54-9
KEGG DRUG： D06669
Application (1)：
drug
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM