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102394-31-0,MFCD00864743
Catalog No.:AA00078W
102394-31-0 | 11-(2-(2-((Diethylamino)methyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one
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1mg
98%
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$98.00   $69.00
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5mg
98%
in stock  
$178.00   $125.00
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10mg
98%
in stock  
$277.00   $194.00
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Technical Information
Catalog Number:
AA00078W
Chemical Name:
11-(2-(2-((Diethylamino)methyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one
CAS Number:
102394-31-0
Molecular Formula:
C24H31N5O2
Molecular Weight:
421.5352
MDL Number:
MFCD00864743
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
SMILES:
CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC
NSC Number:
664529
Properties
Computed Properties
 
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  

Synonyms
 
11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1-4)benzodiazepine-6-one 
AF-DX 116 
UNII-SX2WTG9R3Z 
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 
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 
AF-DX-116 
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 
AFDX 116 
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 
otenzepad 
MLS000758304 
MLS001424139 
SCHEMBL341879 
AF-DX 116 BS 
DTXSID0045674 
AF-DX-250 
CTK8E7964 
CHEBI:111174 
UBRKDAVQCKZSPO-UHFFFAOYSA-N 
HMS2051L18 
Otenzepad 
HMS3267K08 
HMS3393L18 
HMS3676I07 
Tox21_110942 
BDBM50018056 
BN0588 
PDSP1_000468 
PDSP1_000944 
PDSP2_000466 
PDSP2_000930 
AF-DX 116 
AKOS022180220 
Tox21_110942_1 
API0015805 
CCG-101052 
NC00302 
NSC-664529 
AF-DX 116,(+/-) 
NCGC00025002-03 
NCGC00025002-04 
CC-03735 
102394-31-0 
CPD000466280 
NCI60_022223 
SAM001247077 
LS-133663 
RT-011202 
AF-DX 116, >=98% (HPLC) 
FT-0762040 
C-33064 
L023945 
SR-01000597383 
AF-DX-116 
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 
11-(2-(2-((Diethylamino)methyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one 
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 
Literature
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