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BAM-2101

CAT: 0931-T211323-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T211323-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115178-28-4
Target
Others
Related Pathways
Others
Bioactivity
BAM-2101, an ergot alkaloid derivative, exhibits antihypertensive properties. It is effective when administered orally and can lower blood pressure in spontaneously hypertensive rats.
Smiles
CN1[C@]2([C@@](C=3C=4C(C2)=CNC4C=CC3)(C[C@H](CN5C=CN=C5)C1)[H])[H]
Molecular Formula
C19H22N4
Molecular Weight
306.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-alpha-(1H-Imidazol-1-ylmethyl)-6-methylergoline
CAS Number115178-28-4
PubChem CID10063766
IUPAC Name(6aR,9S,10aR)-9-(imidazol-1-ylmethyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Molecular FormulaC19H22N4
Molecular Weight306.4
XLogP2.3
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity441
SMILES
CN1C[C@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=CN=C5
InChI
InChI=1S/C19H22N4/c1-22-10-13(11-23-6-5-20-12-23)7-16-15-3-2-4-17-19(15)14(9-21-17)8-18(16)22/h2-6,9,12-13,16,18,21H,7-8,10-11H2,1H3/t13-,16+,18+/m0/s1
InChIKey
DFHYZNDFVDJYAL-FDQGKXFDSA-N
Chemical Structure
2D Structure
2D structure of 8-alpha-(1H-Imidazol-1-ylmethyl)-6-methylergoline
CAS: 115178-28-4
CID: 10063766
Formula: C19H22N4
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass306.18444672
Monoisotopic Mass306.18444672
Topological Polar Surface Area36.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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