AG00D9KS

478296-72-9 | Gabapentin enacarbil

AG00D9KS

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CAS Number	478296-72-9
Catalog Number	AG00D9KS(AGN-PC-0RWS4N)
Chemical Name	Gabapentin enacarbil
IUPAC Name	2-[1-[[1-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetic acid
InChI	InChI=1S/C16H27NO6/c1-11(2)14(20)22-12(3)23-15(21)17-10-16(9-13(18)19)7-5-4-6-8-16/h11-12H,4-10H2,1-3H3,(H,17,21)(H,18,19)
InChI Key	TZDUHAJSIBHXDL-UHFFFAOYSA-N
MDL Number	MFCD09954124
Molecular Formula	C16H27NO6
Molecular Weight	329.3887
SMILES	O=C(O)CC1(CNC(OC(OC(C(C)C)=O)C)=O)CCCCC1
Synonyms	1-(((alpha-isobutanoyloxyethoxy)carbonyl)aminomethyl)-1-cyclohexaneacetic acid, gabapentin enacarbil, XP 10569, XP 11084, XP 11239, XP 12464, XP 13512, XP-10569, XP-11084, XP-11239, XP-12464, XP-13512, XP10569, XP11084, XP11239, XP12464, XP13512, Gabapentin enacarbil, 478296-72-9, Horizant, Regnite, Solzira, XP13512, XP-13512, gabapentine enacarbil, gabapentina enacarbilo, XP 13512, gabapentinum enacarbilum, CHEBI:68840, UNII-75OCL1SPBQ, {1-[({[1-(isobutyryloxy)ethoxy]carbonyl}amino)methyl]cyclohexyl}acetic acid, 2-(1-((((1-(Isobutyryloxy)ethoxy)carbonyl)amino)methyl)cyclohexyl)acetic acid, 2-[1-[[1-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetic acid, ASP8825, GSK 1838262, 75OCL1SPBQ, Gabapentin enacarbil [USAN:INN], Horizant, Regnite, Horizant (TN), ASP 8825, GSK1838262, SCHEMBL25455, GTPL7560, CHEMBL1628502, TZDUHAJSIBHXDL-UHFFFAOYSA-N, ASP-8825, BCP12845, Horizant|||Regnite|||XP 13512, 3687AH, MFCD09954124, XP-053, AKOS025290727, Gabapentin enacarbil (JAN/USAN/INN), ACN-028536, API0008802, CS-1698, DB08872, PB32822, 1-[[[[1-(2-Methyl-1-oxopropoxy)ethoxy]carbonyl]amino]methyl]cyclohexaneacetic acid, GSK-1838262, AC-27644, AN-16701, AS-35192, HY-16216, FT-0753836, A20372, D09539, Q-1947, 296G729, {[(1-Isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-Cyclohexane Acetic Acid, 2-(1-(((1-(isobutyryloxy)ethoxy)carbonyl)methyl)cyclohexyl)acetic acid, 2-(1-(((1-(isobutyryloxy)ethoxy)carbonylamino)methyl)cyclohexyl)acetic acid, (1-(((((1RS)-1-((2-methylpropanoyl)oxy)ethoxy)carbonyl)amino)methyl)cyclohexyl)acetic acid, {[(alpha-Isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-Cyclohexane Acetic Acid, 1-{[(alpha-Isobutanovloxyethoxy)carbonyl]aminomethyl}-1-Cyclohexane Acetic Acid, 1-{[(alpha-Isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-Cyclohexane Acetic Acid, 1-{[(alpha-isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexaneacetic acid, 2-[1-[[[1-[(2-Methylpropanoyl)oxy]ethoxy]carbonylamino]methyl]cyclohexyl]acetic acid, Cyclohexaneacetic acid, 1-((((1-(2-methyl-1-oxopropoxy)ethoxy)carbonyl)amino)methyl)-, Cyclohexaneacetic acid,1-[[[[1-(2-methyl-1-oxopropoxy)ethoxy]carbonyl]amino]methyl]-, Gabapentin-XP, Gabapentinenacarbil, Gabapentin Encarbil, D05KBU, C16H27NO6, CID9883933, 1-[[(alpha-isobutanoyloxyethoxy)carbonyl]aminomethyl]-1-cyclohexaneacetic acid, cyclohexaneacetic acid, 1-[[[[1-(2-methyl-1-oxopropoxy)ethoxy]carbonyl]amino]methyl]-,

Complexity	428
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	329.184g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	329.393g/mol
Monoisotopic Mass	329.184g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number