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Sipeimine

CAT: 1410-M18907-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M18907-04Size:25 mg
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Description
Sipeimine has antiasthmatic effect, on tracheal M receptor antagonist.
CAS Number
61825-98-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
429.64
Molecular Formula
C27H43NO3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Imperialine

Sipeimine is an alkaloid.

CAS Number61825-98-7
PubChem CID442977
IUPAC Name(1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Molecular FormulaC27H43NO3
Molecular Weight429.6
XLogP3.9
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity755
SMILES
C[C@H]1CC[C@H]2[C@@]([C@@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)(C)O
InChI
InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-/m0/s1
InChIKey
IQDIERHFZVCNRZ-LRCDAWNTSA-N
Chemical Structure
2D Structure
2D structure of Imperialine
CAS: 61825-98-7
CID: 442977
Formula: C27H43NO3
MW: 429.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight429.6
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass429.32429423
Monoisotopic Mass429.32429423
Topological Polar Surface Area60.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity755
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes