BTX

CAS Registry Number®

23509-16-2

CAS Name

BTX

Molecular Formula

C31H42N2O6

Molecular Mass

538.67

Cite this Page

BTX.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23509-16-2 (retrieved 2024-11-22) (CAS RN: 23509-16-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21+,24+,27-,28-,29+,30-,31-/m0/s1

InChIKey

InChIKey=ISNYUQWBWALXEY-OMIQOYQYSA-N

SMILES

C[C@@]12[C@]34C([C@]56[C@](C[C@H]3O)(C([C@@H](OC(=O)C=7C(C)=CNC7C)C)=CC5)CN(C)CCO6)=CC[C@@]1(C[C@](O)(O4)CC2)[H]

Canonical SMILES

O=C(OC(C1=CCC23OCCN(C)CC13CC(O)C45OC6(O)CCC5(C)C(CC=C24)C6)C)C=7C(=CNC7C)C

Other Names for this Substance

  • 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, (1S)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-9,12-dihydroxy-2,11a-dimethyl-7H-9,11b-epoxy-13a,5a-propenophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl ester
  • Batrachotoxin
  • Batrachotoxinin A, 20-(2,4-dimethyl-1H-pyrrole-3-carboxylate)
  • BTX
  • 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, 1-(1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-9,12-dihydroxy-2,11a-dimethyl-7H-9,11b-epoxy-13a,5a-propenophenanthro[2,1-f][1,4]oxazepin-14-yl)ethyl ester, [5aR-[5aα,7aβ,9α,11aβ,11bα,12α,13aα,14(S*)]]-

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Deleted or Replaced CAS Registry Numbers

37338-78-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration