Retaspimycin hydrochloride

CAS Registry Number®

857402-63-2
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CAS Name

Retaspimycin hydrochloride

Molecular Formula

C31H45N3O8.ClH

Cite this Page

Retaspimycin hydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=857402-63-2 (retrieved 2024-04-29) (CAS RN: 857402-63-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H45N3O8.ClH/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);1H/b11-9+,18-10-,20-15+;/t17-,19+,24+,25+,27-,29+;/m1./s1

InChIKey

InChIKey=OIRUWDYJGMHDHJ-LZKPAENESA-N

SMILES

N(CC=C)C1=C2C(O)=C(C=C1O)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.Cl

Canonical SMILES

Cl.O=C(OC1C(=CC(C)C(O)C(OC)CC(C)CC2=C(O)C(=CC(O)=C2NCC=C)NC(=O)C(=CC=CC1OC)C)C)N

Other Names for this Substance

  • Geldanamycin, 18,21-didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-17-(2-propen-1-ylamino)-, hydrochloride (1:1)
  • Geldanamycin, 18,21-didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-17-(2-propenylamino)-, monohydrochloride
  • IPI 504
  • Retaspimycin hydrochloride

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