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LX7101

CAT: 1596-AR-L02152-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L02152-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1192189-69-7
Synonyms
3- (4- (aminomethyl) -1- (5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl) piperidine-4-carboxamido) phenyldimethylcarbamate LX7101; (3- (4- (aminomethyl) -1- (5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl) piperidine-4-carboxamido) phenyl dimethylcarbamate
Molecular Formula
C23H29N7O3 . HCl
Molecular Weight
451.53 36.46
API Name
Lx7101

Chemical Information

Lx-7101

LX-7101 is under investigation in clinical trial NCT01528111 (Study to Evaluate the Safety, Tolerability, and Efficacy of LX7101 in Subjects With Primary Open-angle Glaucoma or Ocular Hypertension).

CAS Number1192189-69-7
PubChem CID56962369
IUPAC Name[3-[[4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
Molecular FormulaC23H29N7O3
Molecular Weight451.5
XLogP2
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity698
SMILES
CC1=CNC2=C1C(=NC=N2)N3CCC(CC3)(CN)C(=O)NC4=CC(=CC=C4)OC(=O)N(C)C
InChI
InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
InChIKey
PWPNYABQEOGNNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lx-7101
CAS: 1192189-69-7
CID: 56962369
Formula: C23H29N7O3
MW: 451.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.5
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass451.23318781
Monoisotopic Mass451.23318781
Topological Polar Surface Area129 Ų
Heavy Atom Count33
Formal Charge0
Complexity698
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
SXB18969-01LX7101
B5863-100LX7101 HCL
HY-12659BLX7101 (monohydrochloride)
A16211-100LX7101 100mg
A16211-2LX7101 2mg
USD88248-01Lx7101 hydrochloride
A16211-50LX7101 50mg
A16211-25LX7101 25mg
A16211-10LX7101 10mg

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