rel-(1R,2R,3S,4S)-3-[[5-Chloro-2-[[(7R)-6,7,8,9-tetrahydro-1-methoxy-7-(4-morpholinyl)-5H-benzocyclohepten-2-yl]amino]-4-pyrimidinyl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

CAS Registry Number®

1431697-87-8

CAS Name

rel-(1R,2R,3S,4S)-3-[[5-Chloro-2-[[(7R)-6,7,8,9-tetrahydro-1-methoxy-7-(4-morpholinyl)-5H-benzocyclohepten-2-yl]amino]-4-pyrimidinyl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

Molecular Formula

C28H35ClN6O3

Molecular Mass

539.07

Cite this Page

rel-(1R,2R,3S,4S)-3-[[5-Chloro-2-[[(7R)-6,7,8,9-tetrahydro-1-methoxy-7-(4-morpholinyl)-5H-benzocyclohepten-2-yl]amino]-4-pyrimidinyl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1431697-87-8 (retrieved 2024-11-22) (CAS RN: 1431697-87-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/s2

InChIKey

InChIKey=LAJAFFLJAJMYLK-MQJXHGPBNA-N

SMILES

N([C@@H]1[C@@]2(C[C@]([C@@H]1C(N)=O)(C=C2)[H])[H])C3=NC(NC=4C(OC)=C5C(=CC4)CC[C@@H](CC5)N6CCOCC6)=NC=C3Cl

Canonical SMILES

O=C(N)C1C2C=CC(C2)C1NC3=NC(=NC=C3Cl)NC4=CC=C5C(=C4OC)CCC(N6CCOCC6)CC5

Other Names for this Substance

  • Bicyclo[2.2.1]hept-5-ene-2-carboxamide, 3-[[5-chloro-2-[[(7R)-6,7,8,9-tetrahydro-1-methoxy-7-(4-morpholinyl)-5H-benzocyclohepten-2-yl]amino]-4-pyrimidinyl]amino]-, (1R,2R,3S,4S)-rel-
  • rel-(1R,2R,3S,4S)-3-[[5-Chloro-2-[[(7R)-6,7,8,9-tetrahydro-1-methoxy-7-(4-morpholinyl)-5H-benzocyclohepten-2-yl]amino]-4-pyrimidinyl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

CAS INSIGHTSTM
Targeted protein degrader structure, illustration