AG0039CM

55837-20-2 | 7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxopropyl]-4(3H)-quinazolinone

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CAS Number	55837-20-2
Catalog Number	AG0039CM(AGN-PC-0SJRAP)
Chemical Name	7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxopropyl]-4(3H)-quinazolinone
IUPAC Name	7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
InChI	InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m0/s1
InChI Key	LVASCWIMLIKXLA-LSDHHAIUSA-N
MDL Number	MFCD09834143
Molecular Formula	C16H17BrClN3O3
Molecular Weight	414.6815
SMILES	BrC1=C(C=C2C(N(C=NC2=C1)CC(C[C@H]1NCCC[C@@H]1O)=O)=O)Cl
Synonyms	7-bromo-6-chlorofebrifugine, halofuginone, halofunginone, Stenorol, Halofuginone, 55837-20-2, empostatin, Stenorol, Tempostatin, 7-bromo-6-chloro-3-(3-((2S,3R)-3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one, 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one, Halofuginone (INN), AC1L8G9K, AC1Q25XG, Halocur [veterinary] (TN), SCHEMBL25596, CHEMBL1199539, DTXSID0048260, BCBcMAP01_000063, BCBcMAP01_000107, HY-N1584, ZINC1849659, AKOS026669540, CS-5485, SB19686, NCI60_039464, FT-0080749, D08034, 837H202, A830836, Q-201182, UNII-L31MM1385E component LVASCWIMLIKXLA-LSDHHAIUSA-N, 7-Bromo-6-chloro-3-[3-(3alpha-hydroxypiperidin-2beta-yl)-2-oxopropyl]quinazolin-4(3H)-one, 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4-quinazolinone, 7-bromanyl-6-chloranyl-3-[2-oxidanylidene-3-[(2S,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one, Halofuginonum, Halofuginona, Halofuginone [INN:BAN], C16H17BrClN3O3, Halofuginonum [INN-Latin], Halofuginona [INN-Spanish], UNII-L31MM1385E, C16-H17-Br-Cl-N3-O3, AR-1L5619, CID400772, ACN-041309, RU-19110, A12441, ( -)-trans-7-Brom-6-chlor-3-(3-(3-hydroxy-2-piperidyl)acetonyl-4(3H)-chinazolinon, ( -)-trans-7-Bromo-6-chloro-3-(3-(3-hydroxy-2-piperidyl)acetonyl-4(3H)-quinazolinone, (+-)-trans-7-Brom-6-chlor-3-(3-(3-hydroxy-2-piperidyl)acetonyl-4(3H)-chinazolinon, (+-)-trans-7-Bromo-6-chloro-3-(3-(3-hydroxy-2-piperidyl)acetonyl-4(3H)-quinazolinone, (+-)-trans-7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidyl)acetonyl]-4(3H)-quinazolinone, (+/-)-trans-7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidyl)-acetonyl)-4(3H)-quinazolinone, trans-7-Bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, trans-(.+-.)-, 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, trans-(.+.)-, 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-, rel-, 4(3H4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, trans-(+/-)-, 65405-67-6, 7-Bromo-6-chloro-3-[3- [(2R,3S)-3-hydroxy-2- piperidyl]-2-oxopropyl]- 4(3H)-quinazolinone,, 7-Bromo-6-chloro-3-{3-[(2S,3R)-3-hydroxy-2-piperidinyl]-2-oxopropyl}-4(3H)-quinazolinone, rel-7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone,

Complexity	533
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	413.014g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	414.684g/mol
Monoisotopic Mass	413.014g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	82A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number