AG000IMA

1193314-23-6 | Spiro[3h-indole-3,1'-[1h]pyrido[3,4-b]indol]-2(1h)-one, 5,7'-dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methyl-, (1'r,3's)-

AG000IMA

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CAS Number	1193314-23-6
Catalog Number	AG000IMA(AGN-PC-0PD6LA)
Chemical Name	Spiro[3h-indole-3,1'-[1h]pyrido[3,4-b]indol]-2(1h)-one, 5,7'-dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methyl-, (1'r,3's)-
IUPAC Name	(3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
InChI	InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
InChI Key	CKLPLPZSUQEDRT-WPCRTTGESA-N
MDL Number	MFCD25976667
Molecular Formula	C19H14Cl2FN3O
Molecular Weight	390.2384
SMILES	O=C1NC2=C(C=C(Cl)C=C2)[C@@]13C(N4)=C(C[C@H](C)N3)C5=C4C=C(Cl)C(F)=C5
UNII	Z7Q4FWA04P
Synonyms	cipargamin, KAE609, NITD 609, NITD-609, NITD609, Cipargamin, NITD609, 1193314-23-6, NITD-609, NITD 609, UNII-Z7Q4FWA04P, Z7Q4FWA04P, KAE609, CHEMBL1082723, (1'R,3'S)-5,7'-Dichloro-6'-fluoro-3'-methyl-2',3',4',9'-tetrahydrospiro[indoline-3,1'-pyrido[3,4-b]indol]-2-one, Spiro[3H-indole-3,1'-[1H]pyrido[3,4-b]indol]-2(1H)-one, 5,7'-dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methyl-, (1'R,3'S)-, 1252008-89-1, Cipargamin [INN], MFCD25976667, GTPL9721, SCHEMBL1306342, DTXSID70152424, BDBM50318666, ZINC49037032, AKOS027253851, CS-7486, DB12306, SB16518, NCGC00263785-01, AK203988, AS-51977, HY-14430, KS-00000630, (1'R,3'S)-5,7'-Dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methyl-spiro[3H-indole-3,1'-[1H]pyrido[3,4-b]indol]-2(1H)-one, (1'R,3'S)-5,7'-dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methylspiro[3H-indole-3,1'-[1H]pyrido[3,4-b]indol]-2(1H)-one, (1R,3S)-5'',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-tetrahydrospiro-[beta-carboline-1,3''-indol]-2''(1''H)-one, (1R,3S)-5',7-dichloro-6-fluoro-3-methyl-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indoline]-2'-one, (1R,3S)-5,7-Dichloro-6-fluoro-3-methyl-2,3,4,9-tetrahydrospiro[indoline-3,1-pyrido[3,4-b]indol]-2-one, (3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one, D0LI1C,

Complexity	609
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	389.05g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	390.239g/mol
Monoisotopic Mass	389.05g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	56.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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