CAS 7313-87-3
:(2S,6S,11S)-3-(Cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
Description:
The chemical substance with the name "(2S,6S,11S)-3-(Cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol" and CAS number "7313-87-3" is a complex organic compound characterized by its unique bicyclic structure, which includes a benzazocin moiety. This compound features multiple stereocenters, contributing to its chiral nature, and includes a cyclopropylmethyl group that adds to its structural diversity. The presence of hydroxyl (-OH) functional groups indicates potential for hydrogen bonding, influencing its solubility and reactivity. The hexahydro framework suggests it is a saturated compound, which may exhibit distinct physical properties such as melting and boiling points compared to unsaturated analogs. Additionally, the dimethyl groups may affect its steric hindrance and overall molecular interactions. Such compounds are often of interest in medicinal chemistry due to their potential biological activity, and their complex structures can lead to varied pharmacological profiles. Understanding the characteristics of this compound requires consideration of its stereochemistry, functional groups, and overall molecular geometry.
Formula:C18H25NO
InChI:InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m1/s1
InChI key:InChIKey=YQYVFVRQLZMJKJ-UUWFMWQGSA-N
SMILES:C[C@@]12C=3C(C[C@@]([C@H]1C)(N(CC4CC4)CC2)[H])=CC=C(O)C3
Synonyms:- (2S,6S,11S)-3-(Cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
- d-Cyclazocine
- 2,6-Methano-3-benzazocin-8-ol, 3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2S,6S,11S)-
- (+)-Cyclazocine
- 2,6-Methano-3-benzazocin-8-ol, 3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, [2S-(2α,6α,11R*)]-
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