AG00346D

239463-85-5 | 5-[(2R)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile(2R,3R)-2,3-dihydroxybutanendioate

AG00346D

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	239463-85-5
Catalog Number	AG00346D(AGN-PC-0QZYNW)
Chemical Name	5-[(2R)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile(2R,3R)-2,3-dihydroxybutanendioate
IUPAC Name	3-[5-[(2R)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl benzoate;(2R,3R)-2,3-dihydroxybutanedioic acid
InChI	InChI=1S/C22H25N3O2.C4H6O6/c1-16(24)12-17-13-19-8-10-25(21(19)20(14-17)15-23)9-5-11-27-22(26)18-6-3-2-4-7-18;5-1(3(7)8)2(6)4(9)10/h2-4,6-7,13-14,16H,5,8-12,24H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2-/m11/s1
InChI Key	KYUCVOVGODORNE-NUFNRNBZSA-N
MDL Number	MFCD16038449
Molecular Formula	C26H31N3O8
Molecular Weight	513.5396
SMILES	OC(=O)[C@@H]([C@H](C(=O)O)O)O.N#Cc1cc(C[C@H](N)C)cc2c1N(CCCOC(=O)c1ccccc1)CC2
Synonyms	239463-85-5, (R)-3-(5-(2-Aminopropyl)-7-cyanoindolin-1-yl)propyl benzoate (2R,3R)-2,3-dihydroxysuccinate, 5-[(2R)-2-AMINOPROPYL]-1-[3-(BENZOYLOXY)PROPYL]-2,3-DIHYDRO-1H-INDOLE-7-CARBONITRILE (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE, 5-[(2R)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile(2R,3R)-2,3-dihydroxybutanendioate, 5-[(2R)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-7-carbonitrile-1H-indole(2R,3R)-2,3-dihydroxybutanedioat, ysuccinate, (R)-5-(2-aminopropyl)-1-(3-benzoyloxypropyl) Indoline-7-Carbonitrile Tartaric acid, AK-94052, PubChem20271, SCHEMBL6595413, CTK8B6227, DTXSID00668240, KYUCVOVGODORNE-NUFNRNBZSA-N, CS-M1430, C22H25N3O2.C4H6O6, ANW-53026, MFCD16038449, AKOS015895766, AN-6887, RL02759, DS-17904, AX8226873, TC-141771, AM20090776, ST24020730, X6203, X6208, KS-00000218, 463A855, I06-1505, J-516580, (R)-3-(5-(2-aminopropyl)-7-cyanoindolin-1-yl)propyl benzoate (2R,3R)-2,3-dihydrox, (R)-3-[5-(2-aminopropyl)-7-cyano-2,3-dihydro-1H-indol-1-yl]propyl benzoate L-tartrate, (2R,3R)-2,3-Dihydroxybutanedioic acid--3-{5-[(2R)-2-aminopropyl]-7-cyano-2,3-dihydro-1H-indol-1-yl}propyl benzoate (1/1), (R)-3-(5-(2-Aminopropyl)-7-cyanoindolin-1-yl)propyl-benzoate (2R,3R)-2,3-dihydroxysuccinate, 1H-Indole-7-carbonitrile, 5-[(2R)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-, (2R,3R)-2,3-dihydroxybutanedioate (1:1), 3-[5-[(2R)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl benzoate,(2R,3R)-2,3-dihydroxybutanedioic acid, 3-[5-[(2R)-2-aminopropyl]-7-cyano-indolin-1-yl]propyl benzoate; (2R,3R)-2,3-dihydroxybutanedioic acid, 5-[(2R)-2-aminopropyl]-1-[3-(benzoyloxy) propyl]-2,3-dihydro-1H-Indole-7-carbonitrile-(2R,3R)-2,3-dihydroxybutanedioate, 5-[(2R)-2-Aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile(2R,3R)-2,3-dihydroxybutanedioate, ACN-040127, (R)-3-(5-(2-Aminopropyl)-7-cyanoindolin-1-yl)propyl benzoate (2R,3R)-2,3-di hydroxysuccinate, 3-[5-[(2R)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl benzoate;(2R,3R)-2,3-dihydroxybutanedioic acid,

Complexity	671
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	513.211g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	513.547g/mol
Monoisotopic Mass	513.211g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	194A^2
Undefined Atom Stereocenter Count	0
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

Certificate of Analysis

Lot Number