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AG00EFVR

Name: Pentaerythritoltetranicotinate
Brand: Angene Chemical
SKU: AG00EFVR

5868-05-3 | Pentaerythritoltetranicotinate

Chemical structure of Pentaerythritoltetranicotinate, CAS 5868-05-3

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CAS Number	5868-05-3
Catalog Number	AG00EFVR(AGN-PC-0SQCYN)
Chemical Name	Pentaerythritoltetranicotinate
EC Number	227-519-7
IUPAC Name	[3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate
InChI	InChI=1S/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2
InChI Key	KUEUWHJGRZKESU-UHFFFAOYSA-N
MDL Number	MFCD00215982
Molecular Formula	C29H24N4O8
Molecular Weight	556.5229
SMILES	O=C(C1C=NC=CC=1)OCC(COC(=O)C1C=NC=CC=1)(COC(=O)C1C=NC=CC=1)COC(=O)C1C=NC=CC=1
UNII	F54EHJ34MV
Synonyms	Niceritrol, Niceritrol Tetrahydrochloride, Pentaerythritol Tetranicotinate, Pentaerythritoltetranicotinate, Perycit, Tetrahydrochloride, Niceritrol, Tetranicotinate, Pentaerythritol, niceritrol, Perycit, Pentaerythritol tetranicotinate, 5868-05-3, Cardiolipol, Bufor, SK 1 (Pharmaceutical), Niceritrolum [INN-Latin], UNII-F54EHJ34MV, F54EHJ34MV, Pentaerithritol tetranicotinate, Niceritrol [INN:BAN:DCF:JAN], EINECS 227-519-7, 3-Pyridinecarboxylic acid, 2,2-bis(((3-pyridinylcarbonyl)oxy)methyl)-1,3-propanediyl ester, BRN 0377170, NCGC00185747-01, DSSTox_CID_3364, NICOTINIC ACID, NEOPENTANETETRAYL ESTER, DSSTox_RID_76993, DSSTox_GSID_23364, C29H24N4O8, Pentaerythritoltetranicotinate, [3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate, CAS-5868-05-3, Niceritrolum, Perycit (TN), Niceritrol (JP17/INN), SCHEMBL28053, AC1L1I94, CHEMBL1697762, DTXSID1023364, CHEBI:31903, ZINC3831199, Tox21_113126, MFCD00215982, Tox21_113126_1, AN-5672, NCGC00185747-02, LS-96598, N0974, D01754, 4-22-00-00376 (Beilstein Handbook Reference), Niceritrol Tetrahydrochloride, Tetrahydrochloride, Niceritrol, Tetranicotinate, Pentaerythritol, CID4476, nicotinic acid neopentanetetrayl ester, D009531,

Complexity	745
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	556.159g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	556.531g/mol
Monoisotopic Mass	556.159g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	157A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited