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LH secretion antagonist 1

CAT: 0931-T10064-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T10064-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
88531-67-3
Target
Others
Related Pathways
Others
Bioactivity
LH secretion antagonist 1 is a luteinizing hormone secretion antagonist with analgesic activity.
Smiles
Cl.C#CCCN1CCC2(O)C3=CC(O)=CC=C3CC1C2(C)C
Molecular Formula
C18H24ClNO2
Molecular Weight
321.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LH secretion antagonist 1
CAS Number88531-67-3
PubChem CID129626442
IUPAC Name10-but-3-ynyl-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-1,4-diol;hydrochloride
Molecular FormulaC18H24ClNO2
Molecular Weight321.8
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity451
SMILES
CC1(C2CC3=C(C1(CCN2CCC#C)O)C=C(C=C3)O)C.Cl
InChI
InChI=1S/C18H23NO2.ClH/c1-4-5-9-19-10-8-18(21)15-12-14(20)7-6-13(15)11-16(19)17(18,2)3;/h1,6-7,12,16,20-21H,5,8-11H2,2-3H3;1H
InChIKey
WPUMJGORSSKPMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LH secretion antagonist 1
CAS: 88531-67-3
CID: 129626442
Formula: C18H24ClNO2
MW: 321.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight321.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass321.1495567
Monoisotopic Mass321.1495567
Topological Polar Surface Area43.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes