AG004YVQ

83602-38-4 | Ethyl (S)-nipecotate L-tartrate

AG004YVQ

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CAS Number	83602-38-4
Catalog Number	AG004YVQ(AGN-PC-0UOZB6)
Chemical Name	Ethyl (S)-nipecotate L-tartrate
IUPAC Name	(2S,3S)-2,3-dihydroxybutanedioic acid;ethyl (3S)-piperidine-3-carboxylate
InChI	InChI=1S/C8H15NO2.C4H6O6/c1-2-11-8(10)7-4-3-5-9-6-7;5-1(3(7)8)2(6)4(9)10/h7,9H,2-6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t7-;1-,2-/m00/s1
InChI Key	HHPGQKZOPPDLNH-ZZQRGORHSA-N
MDL Number	MFCD03093639
Molecular Formula	C12H21NO8
Molecular Weight	307.2970
SMILES	C(=O)(O)[C@@H](O)[C@H](O)C(=O)O.N1CCC[C@@H](C1)C(=O)OCC
Synonyms	Ethyl (S)-3-Piperidinecarboxylate D-Tartrate, 83602-38-4, (S)-Ethyl nipecotate-D-tartrate, (S)-Ethyl piperidine-3-carboxylate (2S,3S)-2,3-dihydroxysuccinate, 163343-71-3, Ethyl (S)-nipecotate,D-tartrate, (S)-3-Piperidinecarboxylic Acid Ethyl Ester D-Tartrate, (S)-Nipecotic Acid Ethyl Ester D-Tartrate, (S)-Ethyl nipecotate D-tartrate, Ethyl (S)-nipecotate-D-tartrate, HHPGQKZOPPDLNH-ZZQRGORHSA-N, AK-47578, 167392-57-6, ACT04201, KS-000006UM, ANW-50545, CE-079, DT2050, FC0475, MFCD03093639, SBB066252, AKOS015896218, Ethyl (S)-(-)-nipecotate-D-tartrate, RTR-025986, AC-22460, BR-47578, DS-14407, AB0020776, AX8022790, AX8031291, TR-025986, N0681, ST24033167, V1785, S-1378, (s)-ethyl 3-piperidinecarboxylate d-tartrate salt, ethyl (3S)-3-piperidinecarboxylate D(-)-tartarate, I06-1617, (S)-3-Piperidinecarboxylic Acid Ethyl Ester D-TaTRate, (-)-D-tartaric acid ethyl (3S)-piperidine-3-carboxylate, (2S,3S)-2,3-dihydroxybutanedioic acid ethyl (3S)-piperidine-3-carboxylate, ethyl (3S)piperidine-3-carboxylate, (2S,3S)-2,3-dihydroxybutanedioic acid, Ethyl (S)-nipecotate L-tartrate, Ethyl (S)-Nipecotate D-Tartrate, C12H21NO8, Ethyl (S)-3-piperidinecarboxylate D-tartrate, 98% - 1G 1g, (S)-Ethyl piperidine-3-carboxylate (2R,3R)-2,3-dihydroxysuccinate, (S)-Ethyl piperidine-3-carboxylate (2S,3S)-2,3-dihydroxysuccite, (2R,3R)-2,3-dihydroxybutanedioic acid; ethyl (3R)-piperidine-3-carboxylate,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	307.127g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	307.299g/mol
Monoisotopic Mass	307.127g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	153A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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