AG0007BO

102394-31-0 | 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-

AG0007BO

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CAS Number	102394-31-0
Catalog Number	AG0007BO(AGN-PC-0ORI5A)
Chemical Name	6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-
IUPAC Name	11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
InChI	InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
InChI Key	UBRKDAVQCKZSPO-UHFFFAOYSA-N
MDL Number	MFCD00864743
Molecular Formula	C24H31N5O2
Molecular Weight	421.5352
NSC Number	664529
SMILES	O=C1C2=CC=CC=C2N(C(CN3C(CN(CC)CC)CCCC3)=O)C4=NC=CC=C4N1
Synonyms	11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1-4)benzodiazepine-6-one, AF-DX 116, AF-DX-116, AFDX 116, otenzepad, Otenzepad, AF-DX 116, 102394-31-0, AF-DX-116, 11-(2-(2-((Diethylamino)methyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one, UNII-SX2WTG9R3Z, UNII-WW6A9TFL2C, SX2WTG9R3Z, WW6A9TFL2C, 11-[[2-[(DIETHYLAMINO)METHYL]-1-PIPERIDINYL]ACETYL]-5,11-DIHYDRO-6H-PYRIDO[2,3-B][1,4]BENZODIAZEPIN-6-ONE, BRN 4212983, CHEMBL17045, NSC664529, NCGC00025002-02, DSSTox_CID_25674, DSSTox_RID_81048, DSSTox_GSID_45674, 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-, 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro- [CAS], Afdx 116, Otenzepad [INN], 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one, 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((2-((diethylamino)methyl)-7-piperidinyl)acetyl)-, 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-;6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-, SMR000466280, CAS-102394-31-0, 11-((2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one, Otenzepad, (+)-, Otenzepad, (-)-, afdx-116, 2-Diethylaminomethyl-1-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperidinium, AC1L32WB, AFDX116, GTPL309, 100158-38-1, MLS000758304, MLS001424139, SCHEMBL341879, AF-DX 116 BS, DTXSID0045674, AF-DX-250, CTK8E7964, CHEBI:111174, UBRKDAVQCKZSPO-UHFFFAOYSA-N, HMS2051L18, HMS3267K08, HMS3393L18, HMS3676I07, Tox21_110942, BDBM50018056, BN0588, PDSP1_000468, PDSP1_000944, PDSP2_000466, PDSP2_000930, AKOS022180220, Tox21_110942_1, API0015805, CCG-101052, NC00302, NSC-664529, AF-DX 116,(+/-), NCGC00025002-03, NCGC00025002-04, CC-03735, CPD000466280, NCI60_022223, SAM001247077, LS-133663, RT-011202, AF-DX 116, >=98% (HPLC), FT-0762040, C-33064, L023945, SR-01000597383, J-000681, SR-01000597383-1, BRD-A00520476-001-03-3, (+)-11-[[2-[(Diethylamino)methyl-]-1-piperidinyl]acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one, (-)-11-[[2-[(Diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one, (AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one, 11-[[2-[(Diethylamino)methyl]-1-piperidinyl]acetyl]-5,11,-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one, 11-[2-[2-(diethylaminomethyl)-1-piperidyl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one, 121029-35-4, 122467-13-4, 5-{2-[2-(2-Dipropylamino-ethyl)-piperidin-1-yl]-acetyl}-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one, 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-, (+)-, 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-, (-)-, 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-(2-(2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-, (+)-, 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-, 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-, UNII-OM7J0XAL0S, OM7J0XAL0S, D0A2OW, C24H31N5O2, CID107867, C24-H31-N5-O2, C048593, 11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1-4)benzodiazepine-6-one,

Complexity	625
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	421.248g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	421.545g/mol
Monoisotopic Mass	421.248g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	68.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number