AG0035XD

212322-56-0 | ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate

AG0035XD

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CAS Number	212322-56-0
Catalog Number	AG0035XD(AGN-PC-00J81Q)
Chemical Name	ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate
EC Number	606-728-0
IUPAC Name	ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate
InChI	InChI=1S/C18H22N4O3/c1-3-25-17(23)9-11-22(16-6-4-5-10-21-16)18(24)13-7-8-15(20-2)14(19)12-13/h4-8,10,12,20H,3,9,11,19H2,1-2H3
InChI Key	PCPATNZTKBOKOY-UHFFFAOYSA-N
MDL Number	MFCD09833624
Molecular Formula	C18H22N4O3
Molecular Weight	342.3923
SMILES	NC=1C=C(C(=O)N(CCC(=O)OCC)C2=NC=CC=C2)C=CC1NC
Synonyms	212322-56-0, ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate, 3-[(3-Amino-4-methylamino-benzoyl)-pyridin-2-yl-amino]-propionic acid ethyl ester, 3-[(3-AMINO-4-METHYLAMINOBENZOYL)PYRIDIN-2-YLAMINO]PROPIONIC ACID ETHYL ESTER, ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate, AK-31680, A1-00096, Q-102526, Ethyl 3-[3-Amino-4-(methylamino)-N-(2-pyridyl)benzamido]propionate, ethyl 3-[[3-amino-4-(methylamino)benzoyl]-(2-pyridyl)amino]propanoate, PCPATNZTKBOKOY-UHFFFAOYSA-N, Dabigatran impurity P, PubChem18110, ALA002, SCHEMBL1269634, CTK8B4598, DTXSID70475140, BCP21335, CS-M1650, ANW-45600, MFCD09833624, SC3941, ZINC22011563, AKOS005266717, AC-6224, ACN-025210, AM84737, LS40289, RL02617, 3-[(3-amino-4-methylamino-benzoyl)pyridin-2-yl-amino]-propionic acid ethyl ester, AJ-80480, AN-10219, BC224365, DS-11466, SC-44834, SY047653, AX8158684, DB-004036, TR-036140, 4CH-008056, A4590, BB 0260124, E1033, FT-0648483, ST24030539, MFCD09833624 (97%), S-0027, 322A560, I14-9226, 3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AM, Ethyl 3-[[3-amino-4-(methylamino)benzoyl](pyridin-2-yl)amino]propionate, ethyl 3-{[3-amino-4-(methylamino)benzoyl](pyridin-2-yl)amino}propanoate, Ethyl N-[3-amino-4-(methylamino) benzoyl]-N-pyridin-2-yl-beta-alaninate, Ethyl N-[3-amino-4-(methylamino)benzoyl]-N-pyridin-2-yl-beta-alaninate, Ethyl-3-[(3-amino-4-methylaminobenzoyl)-N-(2 pyridinyl)amino]propanoate, Ethyl-3-[(3-amino-4-methylaminobenzoyl)-N-(2-pyridinyl)amino]propanoate, Ethyl3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate, N-[3-Amino-4-(methylamino)benzoyl]-N-(2-pyridyl)-beta-alanine ethyl ester, 3-[3-Amino-4-(methylamino)-N-(2-pyridyl)benzamido]propionic Acid Ethyl Ester, 3-amino-4-methylamino-benzoic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)-amide, 3-amino-4-methylamino-benzoic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide, 3-amino-4-methylaminobenzoic acid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)amide, Ethyl 3-{1-[3-amino-4-(Methylamino)-phenyl]-N-(pyridin-2-yl)-formamido}-propanoate, Ethyl-3-[(3 -amino-4-methylaminobenzoyl)-N-(pyridin-2-yl)-amino]propanoate, Ethyl 3-[[3-Amino-4-(methylamino)benzoyl]-(2-pyridyl)amino]propanoate (N-[3-Amino-4-(methylamino)benzoyl]-N-2-pyridinyl-beta-alanine Ethyl Ester), CB11793, CS-T-47895, CID11982993, C123, Ethyl 3-[(3-amino-4-methylamino-benzoyl)-pyridin-2-yl-amino]propanoate, N-[3-Amino-4-(methylamino)benzoyl]-N-2-pyridinyl-Beta-alanine Ethyl Ester, |A-Alanine, N-[3-amino-4-(methylamino)benzoyl]-N-2-pyridinyl-, ethyl ester, 3-[3-amino-4-(methylaminobenzoyl)-pyridin-2-ylamni]propionic acid ethyl ester, Dabigatran intermediate;Alanine, N-[3-amino-4-(methylamino)benzoyl]-N-2-pyridinyl-, ethyl ester,

Complexity	446
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	342.169g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	342.399g/mol
Monoisotopic Mass	342.169g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	97.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number