Tanespimycin

CAS Registry Number®

75747-14-7
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CAS Name

Tanespimycin

Molecular Formula

C31H43N3O8

Molecular Mass

585.69

Cite this Page

Tanespimycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=75747-14-7 (retrieved 2024-04-23) (CAS RN: 75747-14-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H43N3O8/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/h8-11,15-17,19,24-25,27,29,33,36H,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

InChIKey=AYUNIORJHRXIBJ-PCFFWMFCSA-N

SMILES

N(CC=C)C1=C2C(=O)C(=CC1=O)NC(=O)\C(\C)=C/C=C/[C@H](OC)[C@@H](OC(N)=O)\C(\C)=C\[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)C2

Canonical SMILES

O=C(OC1C(=CC(C)C(O)C(OC)CC(C)CC=2C(=O)C(=CC(=O)C2NCC=C)NC(=O)C(=CC=CC1OC)C)C)N

Other Names for this Substance

  • Geldanamycin, 17-demethoxy-17-(2-propenylamino)-
  • 2-Azabicyclo[16.3.1]docosane, geldanamycin deriv.
  • 17-Demethoxy-17-(2-propenylamino)geldanamycin
  • CP 127374
  • 17-(Allylamino)-17-demethoxygeldanamycin

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