AG0037LL

3543-74-6 | 1H-Benzimidazole-2-butanoicacid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, ethyl ester

AG0037LL

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CAS Number	3543-74-6
Catalog Number	AG0037LL(AGN-PC-0RAW5V)
Chemical Name	1H-Benzimidazole-2-butanoicacid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, ethyl ester
IUPAC Name	ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
InChI	InChI=1S/C18H27N3O4/c1-3-25-18(24)6-4-5-17-19-15-13-14(7-8-16(15)20(17)2)21(9-11-22)10-12-23/h7-8,13,22-23H,3-6,9-12H2,1-2H3
InChI Key	SJYOJVBTSZGDQH-UHFFFAOYSA-N
MDL Number	MFCD09840918
Molecular Formula	C18H27N3O4
Molecular Weight	349.4247
SMILES	OCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)OCC)CCO
Synonyms	3543-74-6, 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester, Ethyl 4-(5-(bis(2-hydroxyethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate, 4-{5-[bis-(2-hydroxy-ethyl)-amino]-1-methyl-1h-benzoimidazol-2-yl}-butyric acid ethyl ester, AK-40684, 5-(Bis(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester, [1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester, 1H-Benzimidazole-2-butanoicacid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, ethyl ester, Ethyl 4-{5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoate, Ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2-yl]butanoate, SJYOJVBTSZGDQH-UHFFFAOYSA-N, 4-(5-[Bis-(2-hydroxy-ethyl)-amino]-1-methyl-1H-benzoimidazol-2-yl)-butyric acid ethyl ester, PubChem23572, SCHEMBL365881, Bendamustine Related Impurity 1, CTK5I0866, DTXSID00517744, BCP06804, KS-00000I4F, ANW-59263, MFCD09840918, ZINC22062714, AKOS015917969, AC-6923, ACN-029905, AN-9535, LS41058, AJ-80915, AS-19143, AB1008553, AX8163962, TX-010723, 4CH-021420, AM20090667, FT-0671562, ST24046995, X4797, 543B746, I14-8812, ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methyl-benzimidazol-2-yl]butanoate, ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoate, [1-Methyl-5-bis(2\'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester, 1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester, 1-methyl-5-BIS(2-HYDROXYethyl)AMINOBENZIMIDAZOLYL-2-BUTANOIC ethyl ESTER, 1-METHYL-5-BIS(2-HYDROXYETHYL)AMINOBENZIMIDAZOLYL-2]-BUTANOIC ETHYL ESTER, 1H-Benzimidazole-2-butanoic acid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, ethyl ester, 5-[Bis(2-hydroxyethyl)amino]-1-methyl-2-benzimidazolebutyric Acid Ethyl Ester, 4-{5-[bis-(2-hydroxy-ethyl)-amino]-1-methyl-1H-benzimidazol-2-yl}-butyric acid ethyl ester, null, Bendamustine HCL intermediate D, C18H27N3O4, 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-but anoic acid ethyl ester,

Complexity	404
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	349.2g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	349.431g/mol
Monoisotopic Mass	349.2g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	87.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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