Neltenexine

CAS Registry Number®

99453-84-6
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CAS Name

Neltenexine

Molecular Formula

C18H20Br2N2O2S

Molecular Mass

488.24

Cite this Page

Neltenexine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=99453-84-6 (retrieved 2024-04-23) (CAS RN: 99453-84-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C18H20Br2N2O2S/c19-12-8-11(10-21-13-3-5-14(23)6-4-13)17(15(20)9-12)22-18(24)16-2-1-7-25-16/h1-2,7-9,13-14,21,23H,3-6,10H2,(H,22,24)/t13-,14-

InChIKey

InChIKey=SSLHKNBKUBAHJY-HDJSIYSDNA-N

SMILES

N(C(=O)C1=CC=CS1)C2=C(CN[C@H]3CC[C@H](O)CC3)C=C(Br)C=C2Br

Canonical SMILES

O=C(NC=1C(Br)=CC(Br)=CC1CNC2CCC(O)CC2)C=3SC=CC3

Other Names for this Substance

  • 2-Thiophenecarboxamide, N-[2,4-dibromo-6-[[(trans-4-hydroxycyclohexyl)amino]methyl]phenyl]-
  • 2-Thiophenecarboxamide, N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]-, trans-
  • N-[2,4-Dibromo-6-[[(trans-4-hydroxycyclohexyl)amino]methyl]phenyl]-2-thiophenecarboxamide
  • Neltenexine

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