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alcuronium , Muscarinic acetylcholine receptor M2 positive allosteric modulator, CAS No.23214-96-2, Muscarinic acetylcholine receptor M2 positive allosteric modulator
Basic Description
Grade | Moligand™ |
Action Type | ALLOSTERIC MODULATOR, POSITIVE ALLOSTERIC MODULATOR |
Mechanism of action | Muscarinic acetylcholine receptor M2 positive allosteric modulator |
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Names and Identifiers
IUPAC Name | (1S,9Z,11S,13S,17S,25Z,27S,33S,35S,38S)-28,37-bis(2-hydroxyethylidene)-14,30-bis(prop-2-en-1-yl)-8,14,24,30-tetraazaundecacyclo[25.5.2.2^{11,14}.1^{1,8}.1^{10,17}.0^{2,7}.0^{13,17}.0^{18,23}.0^{30,33}.0^{24,35}.0^{26,38}]octatriaconta-2,4,6,9,18,20,22,25-octaene-14,30-diium |
INCHI | InChI=1S/C44H50N4O2/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2/q+2/b29-13?,30-14?,33-25-,34-26-/t31-,32-,39-,40-,41-,42-,43+,44+,47?,48?/m0/s1 |
InChi Key | MUQUYTSLDVKIOF-NCQXAQDZSA-N |
Canonical SMILES | C=CC[N+]12CC[C@@]34[C@@H]2C[C@@H](C(=CCO)C1)C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N+](CC1=CCO)(CC5)CC=C |
Isomeric SMILES | C=CC[N+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6[C@H]4/C(=C\N7[C@H]8/C(=C6)/[C@@H]9C(=CCO)C[N+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)CC=C)/[C@@H](C3)C(=CCO)C1)CC2 |
PubChem CID | 5311001 |
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