AG001VDD

160807-49-8 | 2H-Indol-2-one, 3-[1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-

AG001VDD

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CAS Number	160807-49-8
Catalog Number	AG001VDD(AGN-PC-0Q7XQY)
Chemical Name	2H-Indol-2-one, 3-[1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-
IUPAC Name	3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
InChI	InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
InChI Key	FQCPPVRJPILDIK-UHFFFAOYSA-N
MDL Number	MFCD02683594
Molecular Formula	C16H11N3O2
Molecular Weight	277.2774
NSC Number	717829
SMILES	ON=C1C(NC2=CC=CC=C12)=C1C(NC2=CC=CC=C12)=O
Synonyms	indirubin 3'-oxime, indirubin-3'-monoxime, INDIRUBIN-3'-MONOXIME, indirubin-3'-oxime, 160807-49-8, indirubin-3-oxime, Indirubin-3monoxime, 3-[3-(Hydroxyamino)-1H-indol-2-yl]indol-2-one, Indirubin-3-monoxime, CHEBI:43645, Indirubin 3'-monoxime, indirubin-3'-monooxime, Indirubin-3′-monoxime, CHEMBL126077, CHEMBL216543, MFCD02683594, (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, UNM-0000305771, 667463-82-3, 3-[1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one, IXM, SR-01000075929, Indirubin-3, Indirubin 3-oxime, Tocris-1813, AC1NS0ZU, BiomolKI_000070, Lopac-I-0404, BiomolKI2_000074, Lopac0_000619, BSPBio_001108, KBioGR_000448, KBioSS_000448, SCHEMBL378779, BMK1-G10, GTPL5989, SCHEMBL1574499, SCHEMBL12005849, SCHEMBL13046776, SCHEMBL13714093, BCBcMAP01_000150, BDBM54681, CHEBI:92352, cid_5326739, CTK8F1327, KBio2_000448, KBio2_003016, KBio2_005584, KBio3_000835, KBio3_000836, DTXSID90416111, 1q41, FQCPPVRJPILDIK-UHFFFAOYSA-N, HBDSHCUSXQATPO-BGBJRWHRSA-N, Bio2_000394, Bio2_000874, HMS1362H09, HMS1792H09, HMS1990H09, HMS3229C06, HMS3260M14, HMS3268I10, HMS3403H09, HMS3676J10, BCP14390, Tox21_500146, 1800AH, BDBM50132003, BDBM50166289, BS0100, HSCI1_000200, IN1458, NSC717829, ZINC18279871, AKOS015910263, AKOS024456796, AKOS030241899, ZINC100001998, ZINC100116081, ZINC100382229, ZINC299888368, ZINC299888369, CCG-100674, CS-5425, DB02052, LP00146, NSC-717829, IDI1_002149, KS-0000182S, NCGC00015545-01, NCGC00015545-02, NCGC00015545-03, NCGC00015545-04, NCGC00015545-05, NCGC00015545-06, NCGC00015545-07, NCGC00015545-08, NCGC00025304-01, NCGC00025304-02, NCGC00025304-03, NCGC00025304-04, NCGC00025304-05, NCGC00260831-01, AC-30025, AJ-70521, AJ-70522, HY-19807, NCI60_040633, RT-013335, B6865, EU-0100619, FT-0670332, Indirubin-3'-oxime, >=98% (HPLC), solid, I 0404, Indirubin-3 inverted exclamation mark -monoxime, K00076, 3-[3-(hydroxyamino)-1H-indol-2-yl]-2-indolone, 3-[3-(oxidanylamino)-1H-indol-2-yl]indol-2-one, 1H,1'H-[2,3']biindolylidene3,2'-dione-3-oxime, 3-(3-(hydroxyimino)indolin-2-ylidene)indolin-2-one, 3-(Hydroxyimino)-[2,3'-biindolinylidene]-2'-one, J-009757, SR-01000075929-1, SR-01000075929-3, BRD-K19136521-001-01-4, BRD-K53959060-001-01-3, I14-40870, (2Z)-2-(2-Oxoindoline-3-ylidene)indoline-3-one oxime, 1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-oxime, 3-[3-(hydroxyamino)-1H-indol-2-yl]-2H-indol-2-one, (2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime, (2Z,3E)-3-(Hydroxyimino)-[2,3'-biindolinylidene]-2'-one, (3Z)-3-[(3E)-3-hydroxyiminoindolin-2-ylidene]indolin-2-one, (Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-oxime, 1H,1''''H-[2,3'''']Biindolylidene-3,2''''-dione 3-oxime, 3-[(3E)-3-(hydroxyimino)-1H-indol-2-ylidene]-1H-indol-2-one, (Z)-1H,1''''H-[2,3'''']Biindolylidene-3,2''''-dione 3-oxime, 2H-Indol-2-one, 3-[1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-, (3Z)-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one, 2H-Indol-2-one, 3-[1,3-dihydro-3-(hydroxyamino)-2H-indol-2-ylidene]-1,3-dihydro-, (3Z)-, 3-[(3E)-3-(HYDROXYIMINO)-2,3-DIHYDRO-1H-INDOL-2-YLIDENE]-2,3-DIHYDRO-1H-INDOL-2-ONE, indirubin 3'-oxime, Indirubin-3/'-monoxime, D0DV1O, D0Y0ES, CHEMBL397695, C16H11N3O2, CID5326739, A16280, C474021,

Complexity	405
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.085g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	277.283g/mol
Monoisotopic Mass	277.085g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	81.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number