17-Dimethylaminoethylamino-17-demethoxygeldanamycin

CAS Registry Number®

467214-20-6
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CAS Name

17-Dimethylaminoethylamino-17-demethoxygeldanamycin

Molecular Formula

C32H48N4O8

Molecular Mass

616.75

Cite this Page

17-Dimethylaminoethylamino-17-demethoxygeldanamycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=467214-20-6 (retrieved 2024-04-20) (CAS RN: 467214-20-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9+,19-10-,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1

InChIKey

InChIKey=KUFRQPKVAWMTJO-IHWNTGGLSA-N

SMILES

N(CCN(C)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)C2NCCN(C)C)NC(=O)C(=CC=CC1OC)C)C)N

Other Names for this Substance

  • Geldanamycin, 17-demethoxy-17-[[2-(dimethylamino)ethyl]amino]-
  • 17-Demethoxy-17-[[2-(dimethylamino)ethyl]amino]geldanamycin
  • NSC 707545
  • 17-DMAG
  • 17-[2-(Dimethylamino)ethylamino]-17-desmethylgeldanamycin

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