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Antalarmin (Hydrochloride)

CAT: 0572-TRC-A678415-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A678415-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
220953-69-5
Hazard Statement
No Data Available
Smiles
Cl.CCCCN(CC)c1nc(C)nc2c1c(C)c(C)n2c3c(C)cc(C)cc3C
Molecular Formula
C24 H34 N4 . H Cl
Molecular Weight
415.014
InChI
InChI=1S/C24H34N4.ClH/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5;/h13-14H,9-12H2,1-8H3;1H
Additionnal Information
IUPAC name: N-butyl-N-ethyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Antalarmin hydrochloride
CAS Number220953-69-5
PubChem CID16078945
IUPAC NameN-butyl-N-ethyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
Molecular FormulaC24H35ClN4
Molecular Weight415.0
Topological Polar Surface Area34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity485
SMILES
CCCCN(CC)C1=NC(=NC2=C1C(=C(N2C3=C(C=C(C=C3C)C)C)C)C)C.Cl
InChI
InChI=1S/C24H34N4.ClH/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5;/h13-14H,9-12H2,1-8H3;1H
InChIKey
CGDGXEDXEXACKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antalarmin hydrochloride
CAS: 220953-69-5
CID: 16078945
Formula: C24H35ClN4
MW: 415.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass414.2550248
Monoisotopic Mass414.2550248
Topological Polar Surface Area34 Ų
Heavy Atom Count29
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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