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AG003NLJ

Name: Rubitecan
Brand: Angene Chemical
SKU: AG003NLJ

91421-42-0 | Rubitecan

Chemical structure of Rubitecan, CAS 91421-42-0

AG003NLJ

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CAS Number	91421-42-0
Catalog Number	AG003NLJ(AGN-PC-0VSCRR)
Chemical Name	Rubitecan
IUPAC Name	(19S)-19-ethyl-19-hydroxy-8-nitro-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
InChI	InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1
InChI Key	VHXNKPBCCMUMSW-FQEVSTJZSA-N
MDL Number	MFCD06656294
Molecular Formula	C20H15N3O6
Molecular Weight	393.3496
SMILES	CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5cccc(c5c4)N(=O)=O)O
UNII	H19C446XXB
Synonyms	9-nitro-20(S)-camptothecin, 9-nitrocamptothecin, 9-nitrocamptothecin, (S)-isomer, RFS 2000, RFS-2000, RFS2000, rubitecan, Rubitecan, 9-Nitrocamptothecin, 91421-42-0, Orathecin, 9-nitro-20(S)-camptothecin, Camptogen, 9-NC, RFS 2000, RFS-2000, UNII-H19C446XXB, Nitrocamptothecin, H19C446XXB, CHEBI:90225, C20H15N3O6, (S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, NCGC00167969-01, (s)-4-ethyl-4-hydroxy-10-nitro-1h-pyrano[3',4':6,7]-indolizino[1,2-b]quinoline-3,14(4h,12h)-dione, 9NC, Q-100889, (4s)-4-ethyl-4-hydroxy-10-nitro-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione, Rubitecan [USAN:INN], rubetican, rubitecanum, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-9-nitro-, 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-9-nitro-, 9-nitro camptothecin, AC1LAOVR, Rubitecan (USAN/INN), SCHEMBL8640, DSSTox_CID_26752, DSSTox_RID_81877, DSSTox_GSID_46752, ethyl-hydroxy-nitro-[?]dione, 9-nitro-(20S)-camptothecin, CHEMBL77305, 9-nitro-20(s)-camptothecine, AC1Q21R5, Camptothecin, 9-nitro-20(S), DTXSID7046752, camptothecin, 9-nitro-20(s)-, CTK8B3048, VHXNKPBCCMUMSW-FQEVSTJZSA-N, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-10-nitro-, (4S)-, BCP06207, EBD39671, ZINC3827362, 9-nitrocamptothecin (rubitecan), Tox21_112597, 3600AC, ABP001092, ANW-41681, CN-061, MFCD06656294, AKOS015895332, AKOS025149224, RL05757, ST-2617, KS-000017A1, NCGC00167969-02, NCGC00167969-03, AC-13389, AC-25083, AJ-45745, AS-14856, BC206171, M884, SC-54565, AB3000004, AX8022905, CAS-91421-42-0, TR-038378, FT-0630977, N0822, ST24036187, D04031, 421R420, (S)-4-Ethyl-4-hydroxy-9-nitro-1H-pyrano[3',4', I06-2270, BRD-K79821389-001-01-9, (4S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 9-Nitro-20(S)-camptothecin; 9-Nitrocamptothecin; Orathecin, (S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3\',4\':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4\|A-ethyl-4-hydroxy-10-nitro-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione, Rubitecan; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-10-nitro-, (4S)-, Inhaled Orathecin, Rubitecan [USAN], Rubitecan (inhaled), 9-Nitro-CPT, L9NC, Ruboxistaurin Hydrochloride, #NAME?, D0I5XO, D0Y1FO, 9-Nitrocamptothecin (9-NC), Rubitecan (inhaled), SuperGen, 9-nitrocamptothecin, (S)-isomer, RFS2000, 86639-62-5, Rubitecan, 98% - 10MG 10mg, AR-1H5905, CID472335, C20-H15-N3-O6, ACN-056771, LY 333531, C079905, Aerosolized liposomal 9 nitro-20 (S) camptothecin, 104195-61-1, 4-Ethyl-4-hydroxy-9-nitro-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, (9S)-9-[(Dimethylamino)methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-Dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione Hydrochloride, 169939-93-9, 4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 51-45-6, 87988-63-4,

Complexity	861
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	393.096g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	393.355g/mol
Monoisotopic Mass	393.096g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	126A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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Chemical Name:	Batch Number:
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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited

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