2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-(1,3-dioxan-2-yl)ethyl-, (2-alpha,6-alpha,11R*)-, (Z)-2-butenedioate (1:1) (salt)

Base Information

• Chemical Name: 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-(1,3-dioxan-2-yl)ethyl-, (2-alpha,6-alpha,11R*)-, (Z)-2-butenedioate (1:1) (salt)
• CAS No.: 130857-09-9
• Molecular Formula: C24H33NO7
• Molecular Weight: 447.5213

Synonyms:130857-09-9;2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-(1,3-dioxan-2-yl)ethyl-, (2-alpha,6-alpha,11R*)-, (Z)-2-butenedioate (1:1) (salt);C20H29NO3.C4H4O4;LS-90638;C20-H29-N-O3.C4-H4-O4

Chemical Property of 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-(1,3-dioxan-2-yl)ethyl-, (2-alpha,6-alpha,11R*)-, (Z)-2-butenedioate (1:1) (salt)

Chemical Property:

• Vapor Pressure: 2.07E-09mmHg at 25°C
• Boiling Point: 468.8°Cat760mmHg
• Flash Point: 237.3°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 447.22570239
• Heavy Atom Count: 32
• Complexity: 558

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Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CC3=C(C1(CCN2CCC4OCCCO4)C)C=C(C=C3)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C[C@H]1[C@@H]2CC3=C([C@@]1(CCN2CCC4OCCCO4)C)C=C(C=C3)O.C(=C/C(=O)O)\C(=O)O

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