Kopsininic acid

CAT: 0931-T81975-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T81975-01Size:5 mg

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CAS Number

7222-19-7

Bioactivity

Kopsininic acid, a natural product isolated from Kopsia hainanensis, has potential applications in researching rheumatoid arthritis, pharyngitis, tonsillitis, and edema [1].

Smiles

O=C(O)C1CC23CCCN4CCC5(C=6C=CC=CC6NC15CC2)C43

Molecular Formula

C20H24N2O2

Molecular Weight

324.42

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Kopsininic acid

CAS Number	7222-19-7
PubChem CID	162924421
IUPAC Name	(1R,9R,16R,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylic acid
Molecular Formula	C20H24N2O2
Molecular Weight	324.4
XLogP	0.3
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	24
Formal Charge	0
Complexity	608

SMILES

C1C[C@@]23CC[C@@]4([C@@H](C2)C(=O)O)[C@@]5([C@H]3N(C1)CC5)C6=CC=CC=C6N4

InChI

InChI=1S/C20H24N2O2/c23-16(24)14-12-18-6-3-10-22-11-9-19(17(18)22)13-4-1-2-5-15(13)21-20(14,19)8-7-18/h1-2,4-5,14,17,21H,3,6-12H2,(H,23,24)/t14-,17-,18+,19+,20+/m0/s1

InChIKey

AZPTZMIACWMVSO-IGGMLHCZSA-N

Chemical Structure

2D Structure

CAS: 7222-19-7

CID: 162924421

Formula: C20H24N2O2

MW: 324.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	324.4
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	324.183778013
Monoisotopic Mass	324.183778013
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	608
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-N12243	Kopsininic acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
OR1071368-01	Acid-apeg6-acid
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
O5678	Octanoic acid (Caorylic acid)
FR11870-01	Ribonucleic acid free acid
300571	Liquidambaric acid (Betulonic acid)
300068	Chicoric acid (Cichoric acid)
MBS384708-01	Fumalic acid (Ferulic acid)

Kopsininic acid

Chemical Information

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