AG00H979

100286-90-6 | [1,4'-Bipiperidine]-1'-carboxylic acid,(4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester, monohydrochloride

AG00H979

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CAS Number	100286-90-6
Catalog Number	AG00H979(AGN-PC-0OPKMC)
Chemical Name	[1,4'-Bipiperidine]-1'-carboxylic acid,(4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester, monohydrochloride
IUPAC Name	[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-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)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;hydrochloride
InChI	InChI=1S/C33H38N4O6.ClH/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H/t33-;/m0./s1
InChI Key	GURKHSYORGJETM-WAQYZQTGSA-N
MDL Number	MFCD01862255
Molecular Formula	C33H39ClN4O6
Molecular Weight	623.1390
SMILES	C(C)c1c2c(c3n(C2)c(=O)c2c(c3)[C@](CC)(O)C(=O)OC2)nc2c1cc(cc2)OC(=O)N1CCC(CC1)N1CCCCC1.Cl
UNII	06X131E4OE
Synonyms	7 Ethyl 10 hydroxycamptothecin, 7-ethyl-10-hydroxycamptothecin, Camptosar, Camptothecin 11, camptothecin-11, CPT 11, CPT-11, CPT11, irinotecan, irinotecan hydrochloride, Irrinotecan, NK012 compound, SN 38, SN 38 11, SN-38, SN-38-11, SN3811, Irinotecan hydrochloride, 100286-90-6, Irinotecan Hcl, Topotecin, Campto, Camptosar, CPT 11, CPT-11, Camptothecin 11 hydrochloride, Irinotecan (hydrochloride), Camptothecin 11, UNII-06X131E4OE, U 101440E, CHEBI:5971, Camptothecin analog, 06X131E4OE, 7-Ethyl-10-(4-(1-piperidino)-1-piperidino)carbonyloxy camptothecin hydrochloride, NSC616348, NSC-616348, NCGC00095190-01, Irinotecan hydrochloride [USAN:JAN], MFCD01862255, DSSTox_CID_25953, DSSTox_RID_81249, DSSTox_GSID_45953, (S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride, (1,4'-Bipiperidine)-1'-carboxylic acid, (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride, (1,4'-Bipiperidine)-1'-carboxylic acid, 3,4,12,14-tetrahydro-4,11-diethyl-4-hydroxy-3,4-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride, (S)-, (S)-[1,4'-Bipiperidine]-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester hydrochloride, U-101440E, CAS-100286-90-6, AC1L2MZI, AC1Q3ESY, irinotecan monohydrochloride, SCHEMBL4033, Camptosar (TN) (Pharmacia), (4s)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1h-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-9-yl-1,4'-bipiperidin-1'-carboxylathydrochlorid, C33H38N4O6.HCl, SPECTRUM1505821, CHEMBL541887, CPT11,, DTXSID6045953, GURKHSYORGJETM-WAQYZQTGSA-N, HMS1922J04, Pharmakon1600-01505821, BCP17234, EBD19661, irinotecan hydrochloride (anhydrous), Tox21_111479, HY-16562A, NSC759878, AKOS015901921, Tox21_111479_1, CCG-213561, CS-2988, DQ-2805, MCULE-3850427409, NE46825, NSC-759878, RL00025, KS-00000Y33, NCGC00095190-02, NCGC00178697-04, AC-28335, AK163168, AN-34403, AS-13304, BC206170, H851, LS-44591, AB0013307, AB1004843, TL8000040, FT-0627291, I0714, ST24047422, Irinotecan hydrochloride, topoisomerase inhibitor, 286I906, SR-01000763864, Q-100016, SR-01000763864-3, Z1550648758, [1,4 inverted exclamation marka-Bipiperidine]-1 inverted exclamation marka-carboxylic acid, (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0(2),(1)(1).0,.0(1),(2)]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl 4-(piperidin-1-yl)piperidine-1-carboxylate hydrochloride, (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl 4-(piperidin-1-yl)piperidine-1-carboxylate hydrochloride, (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride, (4S)-4,11-Diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylic acid ester hydrochloride, (4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride, (S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3 inverted exclamation marka,4 inverted exclamation marka:6,7]indolizino[1,2-b]quinolin-9-yl ester, (S)-4,11-Diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3 inverted exclamation marka,4 inverted exclamation marka:6,7]indolizino[1,2-b]quinolin-9-yl ester; [1,4 inverted exclamation marka-Bipiperidine]-1 inverted exclamation marka-carboxylic acid, [1, 4,11-diethyl-3,4,12, 14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7] indolizino[1,2-b]quinolin-9-yl ester, monohydrochloride (S)-, [1,4 inverted exclamation mark -Bipiperidine]-1 inverted exclamation mark -carboxylic Acid (4S)-4,11-Diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3 inverted exclamation mark ,4 inverted exclamation mark :6,7]indolizino[1,2-b]quinolin-9-yl Ester Hydrochloride Trihydrate, [1,4'-Bipiperidine]-1'-carboxylic acid,(4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester, monohydrochloride, 1-[1-({[(4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]oxy}carbonyl)piperidin-4-yl]piperidin-1-ium chloride, irinotecan, C33H38N4O6.ClH, IRINOTECAN HYDROCHLORIDE Trihydrate, KST-1A0139, CID74990, C33-H38-N4-O6.Cl-H, AR-1A6074, ACN-029238, 136572-09-3, 5427-02-1, [1,4'-bipiperidine]-1'-carboxylic acid, (4s)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester, hydrochloride (1:1),

Complexity	1200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	622.256g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	623.147g/mol
Monoisotopic Mass	622.256g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number