AG0039LU

119413-54-6 | (S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[l,2-b]quinoline-3,14(4H,12H)-dione monohydrochloride

AG0039LU

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CAS Number	119413-54-6
Catalog Number	AG0039LU(AGN-PC-0PDAC5)
Chemical Name	(S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[l,2-b]quinoline-3,14(4H,12H)-dione monohydrochloride
EC Number	601-607-9
IUPAC Name	(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;hydrochloride
InChI	InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1
InChI Key	DGHHQBMTXTWTJV-BQAIUKQQSA-N
MDL Number	MFCD18452857
Molecular Formula	C23H24ClN3O5
Molecular Weight	457.9068
SMILES	O=C1[C@](O)(CC)C2=C(CO1)C(N3CC4=CC5=C(CN(C)C)C(O)=CC=C5N=C4C3=C2)=O.[H]Cl
UNII	956S425ZCY
Synonyms	9 Dimethylaminomethyl 10 hydroxycamptothecin, 9-Dimethylaminomethyl-10-hydroxycamptothecin, Hycamtamine, Hycamtin, Hydrochloride, Nogitecan, Hydrochloride, Topotecan, Nogitecan Hydrochloride, NSC 609699, NSC-609699, NSC609699, SK and F 104864 A, SK and F-104864-A, SK and F104864A, SKF 104864 A, SKF-104864-A, SKF104864A, Topotecan, Topotecan Hydrochloride, Topotecan Monohydrochloride, (S)-Isomer, TOPOTECAN HYDROCHLORIDE, 119413-54-6, Topotecan Hcl, Hycamtin, Hycamptamine hydrochloride, Topotecan (Hydrochloride), Topotecan monohydrochloride, UNII-956S425ZCY, Topotecan hydrochloride [USAN], Nogitecan hydrochloride, DRG-0288, NSC609699, SK&F S-104864-A, NSC 609699, NSC-609699, 956S425ZCY, SKF 104864A, (S)-10-((Dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione monohydrochloride, NCGC00095189-01, AK-48920, Hycamtin (TN), DSSTox_CID_25952, DSSTox_RID_81248, DSSTox_GSID_45952, Topotecan hydrochloride (USAN), CHEMBL1607, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 10-((dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-, monohydrochloride, (S)-, SMR000466344, CAS-119413-54-6, SK&F-S-104864A, 9-Dimethylaminomethyl-10-hydroxycamptothecin., Evotropin, nogitecan HCl, Potactasol (TN), (S)-10-((dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride, (S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione Hydrochloride, (S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione monohydrochloride, AC1L1TQW, AC1Q3EIA, Topotecan HCl - Hycamtin, SCHEMBL7247, Hycamtin (TN) (GlaxoSmith), MLS000759456, MLS001401447, C23H23N3O5.HCl, SPECTRUM1505820, Nogitecan hydrochloride (JAN), DTXSID1045952, AOB6645, DGHHQBMTXTWTJV-BQAIUKQQSA-N, SKFS 104864A, HMS1922H22, Pharmakon1600-01505820, 10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride, BCP00930, KS-00000HA7, SKF-S 104864-A, Tox21_111478, BG0599, CCG-37460, CT0202, HY-13768A, MFCD00866235, NCGC00014925, NCI609699, NK-211, NSC759263, s1231, SK&F-S-104864-A, AKOS015900415, SK&F 104864-A, Tox21_111478_1, AC-1551, AN-7238, CS-1498, KS-1410, NC00177, NSC-759263, RL00754, NCGC00014925-06, NCGC00095189-02, NCGC00095189-03, BC203930, BR-48920, CPD000466344, SAM001246651, AB0012839, AX8001571, LS-172415, FT-0631095, SW197557-5, T-160, D02168, S-5061, 413T546, C-22572, I14-051, E-89/001, 9-Dimethylaminomethyl-10-hydroxycamptothecin, HCl salt, (19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0(2),(1)(1).0?,?.0(1)?,(2)?]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione hydrochloride, (S)-10-((dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride, (S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[l,2-b]quinoline-3,14(4H,12H)-dione monohydrochloride, 1H-Pyrano[3',7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-, monohydrochloride, (4S)-, topotecan, Hycamptamine, Topetecan, D0Z4XW, C23H24ClN3O5, C23H23N3O5.ClH, CID60699, C23-H23-N3-O5.Cl-H, SK-S-104864-A, ACN-047031, CS-O-08329, H030, B2296, A10939, 123948-87-8,

Complexity	867
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	457.14g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	457.911g/mol
Monoisotopic Mass	457.14g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338-P310
UN Code	\N

Certificate of Analysis

Lot Number