AG002MOX

23256-42-0 | Propanoic acid, 2-hydroxy-, compd. with 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (1:1)

AG002MOX

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CAS Number	23256-42-0
Catalog Number	AG002MOX(AGN-PC-0KP0GW)
Chemical Name	Propanoic acid, 2-hydroxy-, compd. with 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (1:1)
EC Number	245-533-1
IUPAC Name	2-hydroxypropanoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
InChI	InChI=1S/C14H18N4O3.C3H6O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-2(4)3(5)6/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2,4H,1H3,(H,5,6)
InChI Key	IIZVTUWSIKTFKO-UHFFFAOYSA-N
MDL Number	MFCD00171722
Molecular Formula	C17H24N4O6
Molecular Weight	380.3957
SMILES	NC1=NC=C(C(N)=N1)CC2=CC(OC)=C(C(OC)=C2)OC.CC(C(O)=O)O
Synonyms	23256-42-0, TRIMETHOPRIM LACTATE, Trimethoprim lactate salt, Trimethoprim lactic Acid, 5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine 2-hydroxypropanoate, MLS000069832, UNII-P3K8GP9FDQ, MFCD00171722, SMR000058914, 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine lactate salt, P3K8GP9FDQ, 2-hydroxypropanoic acid; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine, Wellcoprim (TN), EINECS 245-533-1, Opera_ID_705, AC1MJ2GM, MLS001148451, SCHEMBL950634, CHEMBL1430611, CTK8G3611, Trimethoprim lactate salt, >=98%, BCP13301, AKOS015900431, RP17705, ACM23256420, KS-00000H81, Lactic acid, compound with 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine (1:1), AC-13574, AK327629, BC206439, H149, Propanoic acid, 2-hydroxy-, compd. with 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (1:1), SC-62920, TL8001934, FT-0630496, VU0212227-7, A-7705, D08644, 256T420, A816646, C-21323, I14-0949, J-015057, J-516148, 2,4-DIAMINO-5-(3,4,5-TRIMETHOXYBENZYL)PYRIMIDINE L, 2,4-DIAMINO-5-(3,4,5-TRIMETHOXYBENZYL)PYRIMIDINE LACTATE, 2-oxidanylpropanoic acid; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine, trimethoprim, Trimethoprimlactatesalt, C17H24N4O6, C14H18N4O3.C3H6O3, CID3084396, C14-H18-N4-O3.C3-H6-O3, 738-70-5,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	380.17g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	380.401g/mol
Monoisotopic Mass	380.17g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	163A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number