Butaclamol
[CAS# 51152-91-1]

Identification

• Name: Butaclamol
• Synonyms: (-)-Butaclamol; (3R-(3Alpha,4Aalpha,13Bbeta))-3-(1,1-Dimethylethyl)-2,3,4,4A,8,9,13B,14-Ocahydro-1H-Benzo(6,7)Cyclohepta(1,2,3-De)Pyrido(2,1-A)Isoquinoline-3-Ol; 1H-Benzo(6,7)Cyclohepta(1,2,3-De)Pyrido(2,1-A)Isoquinolin-3-Ol, 3-(1,1-Dimethylethyl)-2,3,4,4A,8,9,13B,14-Ocahydro-, (3R-(3Alpha,4Aalpha,13Bbeta))-
• Molecular Formula: C₂₅H₃₁NO
• Molecular Weight: 361.53
• CAS Registry Number: 51152-91-1
• SMILES: [C@H]15N(C[C@H]3C2=C1C=CC=C2CCC4=CC=CC=C34)CC[C@@](O)(C5)C(C)(C)C
• InChI: 1S/C25H31NO/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/t21-,22-,25-/m1/s1
• InChIKey: ZZJYIKPMDIWRSN-TZBSWOFLSA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 500.311°C at 760 mmHg (Cal.)
• Flash point: 239.939°C (Cal.)

References

• (1): Diamandis et al.. Chemical genetics reveal a complex functional ground state of neural stem cells, Nature Chemical Biology, 2007