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RN-1, LSD1 Inhibitor

CAT: 0498-bs-60169C-01Size: 10 mM DMSO (0.442 mL)Dry Ice: NoHazardous: No
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CAT#:0498-bs-60169C-01Size:10 mM DMSO (0.442 mL)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1781835-13-9
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
DMSO up to 20 mM
Smiles
Cl.Cl.CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1C1C=CC(=CC=1)OCC1C=CC=CC=1|&1:13,15|
Molecular Formula
C23 H31 Cl2 N3 O2
Molecular Weight
452.42
InChI
InChI=1S/C23H29N3O2.2ClH/c1-25-11-13-26 (14-12-25) 23 (27) 16-24-22-15-21 (22) 19-7-9-20 (10-8-19) 28-17-18-5-3-2-4-6-18; ; /h2-10,21-22,24H,11-17H2,1H3;2*1H/t21-,22+; ; /m0../s1
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

RN-1 Dihydrochloride
CAS Number1781835-13-9
PubChem CID90488995
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]ethanone;dihydrochloride
Molecular FormulaC23H31Cl2N3O2
Molecular Weight452.4
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity492
SMILES
CN1CCN(CC1)C(=O)CN[C@@H]2C[C@H]2C3=CC=C(C=C3)OCC4=CC=CC=C4.Cl.Cl
InChI
InChI=1S/C23H29N3O2.2ClH/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18;;/h2-10,21-22,24H,11-17H2,1H3;2*1H/t21-,22+;;/m0../s1
InChIKey
WMHAFZOOUBPQRX-VSIGASKDSA-N
Chemical Structure
2D Structure
2D structure of RN-1 Dihydrochloride
CAS: 1781835-13-9
CID: 90488995
Formula: C23H31Cl2N3O2
MW: 452.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass451.1793326
Monoisotopic Mass451.1793326
Topological Polar Surface Area44.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity492
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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