Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Retaspimycin [USAN:INN]
RN: 857402-23-4
UNII: BZF2ZM0I5Z
InChIKey: OAKGNIRUXAZDQF-TXHRRWQRSA-N

Classification Codes

  • Treatment of GIST
  • Treatment of Patients with Metastatic and/or Unresectable Gastrointestinal Stromal Tumors (GIST)
  • Treatment of Patients with Relapsed and/or Refractory Stage IIIb (with Pleural or Pericardial Effusions) or Iv NSCLC

Molecular Formula

  • C31-H45-N3-O8

Molecular Weight

  • 587.7095
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Retaspimycin [USAN:INN]

Synonyms

  • (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,20,22-Trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-19-(prop-2-enylamino)-2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18(22),19-hexen-9-yl carbamate
  • IPI-504
  • Retaspimycin
  • UNII-BZF2ZM0I5Z

Systematic Name

  • Geldanamycin, 18,21-didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-17-(2-propenylamino)-

Registry Numbers

CAS Registry Number

  • 857402-23-4

FDA UNII

  • BZF2ZM0I5Z

System Generated Number

  • 0857402234

Structure Descriptors

InChI

1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1

InChIKey

OAKGNIRUXAZDQF-TXHRRWQRSA-N

Smiles

CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)cc(O)c2NCC=C