AG003BCG

7689-03-4 | (19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

AG003BCG

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CAS Number	7689-03-4
Catalog Number	AG003BCG(AGN-PC-0UAOM7)
Chemical Name	(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
IUPAC Name	(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
InChI	InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
InChI Key	VSJKWCGYPAHWDS-FQEVSTJZSA-N
MDL Number	MFCD00081076
Molecular Formula	C20H16N2O4
Molecular Weight	348.3520
NSC Number	94600
SMILES	[C@@]5(C2=C(C(N1CC4=C(C1=C2)N=C3C=CC=CC3=C4)=O)COC5=O)(CC)O
UNII	XT3Z54Z28A
Synonyms	Camptothecin, Camptothecine, camptothecin, Camptothecine, (S)-(+)-Camptothecin, 7689-03-4, Campathecin, (+)-Camptothecine, d-Camptothecin, (+)-Camptothecin, 20(S)-Camptothecine, 21,22-Secocamptothecin-21-oic acid lactone, NSC94600, (S)-Camptothecin, 20(S)-Camptothecin, Camptothecine (8CI), Camptothecine (S,+), CHEMBL65, UNII-XT3Z54Z28A, (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, MLS000766223, XT3Z54Z28A, CHEBI:27656, VSJKWCGYPAHWDS-FQEVSTJZSA-N, Camptothecin, Camptotheca acuminata, NSC-94600, Camptothecin derivative, AK-39842, (+)-Camptothecin, 98%, 4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE, Q-200785, MFCD00081076, (S)-4-ethyl-4-hydroxy-1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-, 4-Ethyl-4-hydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)dione, SR-01000075798, SR-01000597379, d-camptothecine, (s)-camptothecine, Camptothecin,(S), ( )-Camptothecin, (S)-4-ethyl-4-hydroxy-1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (4S)-, 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (4S)-, 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-, Prestwick_102, Camphor (synthetic), CAMPTOTHECINUM, (+)-Camptothecin;, PubChem10183, Spectrum_000299, Tocris-1100, SpecPlus_000712, AC1L2NDR, Prestwick0_000200, Prestwick1_000200, Prestwick2_000200, Prestwick3_000200, Spectrum2_000903, Spectrum3_001203, Spectrum4_000738, Spectrum5_001126, Lopac-C-9911, AC1Q2C5X, SCHEMBL6038, Lopac0_000341, BSPBio_000159, BSPBio_002586, KBioGR_001036, KBioSS_000779, KBioSS_002283, cid_24360, DivK1c_000826, DivK1c_006808, SPECTRUM1502232, SPBio_000746, SPBio_002080, AC1Q2C60, BPBio1_000175, Jsp000050, DTXSID0030956, HMS502J08, KBio1_000826, KBio1_001752, KBio2_000779, KBio2_003347, KBio2_005915, KBio3_002086, BIC8442, NINDS_000826, ZX-AFC000426, Bio1_000400, Bio1_000889, Bio1_001378, HMS1568H21, HMS1921N08, HMS2089F08, HMS2095H21, HMS3261E03, HMS3654D13, HMS3678J15, HMS3712H21, ZINC105309, (S)-4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, (S)-4-Ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-(4H,12H)-dione, ACT02668, BCP02857, ZX-AT019935, Tox21_500341, AC-202, BBL033963, BDBM50008923, BG0120, CCG-40255, GR-301, s1288, STK801886, AKOS004119861, API0001826, CS-1049, DB04690, KS-5235, LP00341, MCULE-1654983682, SDCCGMLS-0066688.P001, CAS-2114454, IDI1_000826, NCGC00015290-01, NCGC00016994-01, NCGC00016994-02, NCGC00016994-03, NCGC00016994-04, NCGC00016994-05, NCGC00016994-06, NCGC00016994-07, NCGC00016994-08, NCGC00016994-09, NCGC00016994-10, NCGC00016994-11, NCGC00016994-12, NCGC00016994-16, NCGC00024997-01, NCGC00024997-02, NCGC00024997-03, NCGC00024997-04, NCGC00024997-05, NCGC00024997-06, NCGC00178592-01, NCGC00178592-02, NCGC00261026-01, AJ-11194, AN-16065, BC203226, BR-39842, HY-16560, K332, NCI60_042105, OR014824, SMR000445686, AX8038860, ST2412720, EU-0100341, FT-0623436, N1868, SW196414-3, C 9911, C01897, J10012, M01564, S-2515, 32320-EP2270008A1, 32320-EP2272827A1, 32320-EP2275420A1, 32320-EP2277507A1, 32320-EP2277865A1, 32320-EP2280013A1, 32320-EP2281815A1, 32320-EP2286795A1, 32320-EP2286812A1, 32320-EP2289892A1, 32320-EP2292615A1, 32320-EP2292617A1, 32320-EP2295055A2, 32320-EP2295416A2, 32320-EP2298748A2, 32320-EP2298764A1, 32320-EP2298765A1, 32320-EP2298778A1, 32320-EP2301933A1, 32320-EP2305640A2, 32320-EP2305642A2, 32320-EP2305671A1, 32320-EP2308855A1, 32320-EP2311453A1, 32320-EP2311827A1, 32320-EP2311840A1, AB00052452-08, AB00052452-09, AB00052452_10, (S)-(+)-Camptothecin, >=90% (HPLC), powder, 157594-EP2277507A1, 157594-EP2286795A1, 179002-EP2280013A1, 689C034, SR-01000075798-1, SR-01000075798-4, SR-01000597379-1, SR-01000597379-3, BRD-K37890730-001-09-4, BRD-K37890730-001-10-2, (S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]florene-3,13-dione, (S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione, 4-Ethyl-4-hydroxy-1H-pyrano-[3[,4[:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, Topotecan Related Compound C, United States Pharmacopeia (USP) Reference Standard, (19S)-19-ethyl-19-hydroxy-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, 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-, 4(S)-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14 (4H,12H)-dione, 4-ethyl-4-hydroxy-(4S)-3,4,12,14-tetrahydro-1H-pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-3,14-dione, 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (camptothecin or CPT), 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (Camptothecin), 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (CPT, Camptothecin), ethyl(hydroxy)[?]dione, D09YDM, CCRIS 8162, C20H16N2O4, NSC 100880, CID24360, MFCD00013554, NSC 94600, ACN-035664, CS-O-07471, NSC-100880, 1,4-Dibromo-2-(trifluoromethyl)benzene, BRN 0631069, (S)-( )-Camptothecin, 98% - 1G 1g, AI3-62475, CPT, A2877, C1495, A10174, D002166, 4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 1480-64-4, 2086-83-1, 64439-81-2, EHD,

Complexity	742
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	348.111g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	348.358g/mol
Monoisotopic Mass	348.111g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	79.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P310+P330-P405-P501-P301+P310a-P321-P501a
UN Code	UN 1544

Certificate of Analysis

Lot Number