Geldanamycin

CAS Registry Number®

30562-34-6
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CAS Name

Geldanamycin

Molecular Formula

C29H40N2O9

Molecular Mass

560.64

Cite this Page

Geldanamycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30562-34-6 (retrieved 2024-04-20) (CAS RN: 30562-34-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    252-255 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8+,16-9-,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1

InChIKey

InChIKey=QTQAWLPCGQOSGP-HVLUDGHHSA-N

SMILES

O(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)C2OC)NC(=O)C(=CC=CC1OC)C)C)N

Other Names for this Substance

  • Geldanamycin
  • 2-Azabicyclo[16.3.1]docosa-4,6,10,18,21-pentaene-3,20,22-trione, 9,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-, 9-carbamate
  • 2-Azabicyclo[16.3.1]docosane, geldanamycin deriv.
  • 2-Azabicyclo[16.3.1]docosa-4,6,10,18,21-pentaene-3,20,22-trione, 9-[(aminocarbonyl)oxy]-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-, [8S-(4E,6Z,8R*,9R*,10E,12R*,13S*,14R*,16S*)]-
  • [8S-(4E,6Z,8R*,9R*,10E,12R*,13S*,14R*,16S*)]-9-[(Aminocarbonyl)oxy]-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-4,6,10,18,21-pentaene-3,20,22-trione

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Deleted or Replaced CAS Registry Numbers

31828-93-0, 150575-55-6, 1807916-57-9, 1955474-12-0

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