AG00DAAM

49843-98-3 | 6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

AG00DAAM

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CAS Number	49843-98-3
Catalog Number	AG00DAAM(AGN-PC-0JV823)
Chemical Name	6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
IUPAC Name	6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
InChI	InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)
InChI Key	FUZYTVDVLBBXDL-UHFFFAOYSA-N
MDL Number	MFCD03009471
Molecular Formula	C13H13ClN2O
Molecular Weight	248.7081
SMILES	O=C(C1C(NC2=C3C=C(Cl)C=C2)=C3CCC1)N
Synonyms	6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide, EX 527, EX-527, EX527 cpd, selisistat, SEN0014196, 49843-98-3, 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide, Selisistat, EX-527, EX 527, SEN0014196, EX527, SIRT1 Inhibitor III, EX 527 (Selisistat), CHEMBL420311, CHEBI:90369, AK162085, EX-527 S-enantiomer, 1H-Carbazole-1-carboxamide, 6-chloro-2,3,4,9-tetrahydro-, 6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide, racemic, Selisistat [INN], EX 527 (SEN0014196), 6-chloro-1,2,3,4,9-pentahydro-4aH-carbazolecarboxamide, SEN-0014196, EX-527(Selisistat), AC1NOH0T, Selisistat (EX 527), Cambridge id 6859180, Oprea1_353257, Oprea1_367943, MLS006011757, GTPL8100, SCHEMBL1275557, CTK8F9709, AOB2079, QCR-195, FUZYTVDVLBBXDL-UHFFFAOYSA-N, HMS3654P22, rac-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide, BCP02889, EX-A1064, KS-00000FE8, ABP000688, BDBM50178769, BN0883, MFCD03009471, s1541, SBB014468, STK522511, AKOS002364303, BCP9000673, CCG-208710, CS-0960, EX 527/, MCULE-2491423827, SB16664, EX 527,SEN0014196, NCGC00242458-01, BC623031, HY-15452, SC-93906, SMR004703473, ST082785, BCP0726000108, AB0033787, AX8108686, DB-082965, EX-527, >=98% (HPLC), FT-0698480, ST24045255, SW218147-2, X7534, A21392, F10031, S-7754, AB00121519-01, SR-01000501008, SR-01000501008-1, BRD-A73908300-001-04-2, EX 527, EX527, 49843-98-3, (+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide, 6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid, amide, EX-527 R-enantiomer, EX527 cpd, D0E3LP, UNII-L19ECD5014, C13H13ClN2O, SEN-196, L19ECD5014, ZINC00093989, CID5113032, C2739, C550547, SIRT1 inhibitors (Huntingtons disease), Elixir/Siena, 6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ylformamide, 848193-68-0, Sirtuin-1 inhibitors (oral, Huntington's disease), Elixir/Siena, 848193-69-1,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.072g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	248.71g/mol
Monoisotopic Mass	248.072g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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