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(±)-Butaclamol hydrochloride , CAS No.36504-94-6
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Basic Description
Synonyms | BUTACLAMOL HYDROCHLORIDE|Butaclamol HCl|(-)-Butaclamol hydrochloride|Butaclamol hydrochloride [USAN]|36504-94-6|55528-08-0|8TUG8SF12T|AY-23,028|DTXSID0045757|AY 23028|36504-94-6 (HCl)|Butaclamol hydrochloride (USAN)|(3R,4aR,13bR)-3-(1,1-Dimethylethyl)-2,3 |
Shipped In | Normal |
Names and Identifiers
IUPAC Name | (1R,6R,8R)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol;hydrochloride |
INCHI | InChI=1S/C25H31NO.ClH/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25;/h4-10,21-22,27H,11-16H2,1-3H3;1H/t21-,22-,25-;/m1./s1 |
InChi Key | QZRUMKUMFJJARD-OMMJFLKZSA-N |
Canonical SMILES | CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O.Cl |
Isomeric SMILES | CC(C)(C)[C@]1(CCN2C[C@@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@H]2C1)O.Cl |
PubChem CID | 37460 |
Molecular Weight | 361.523646 |
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