9-Aminocamptothecin

Catalog Number	ACM91421431-1
CAS Number	91421-43-1
Description	Topoisomerase I inhibitor; more soluble than Camptothecin (FC15450)
Synonyms	9-Amino-20-(S)-camptothecin
IUPAC Name	(19S)-8-amino-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
Molecular Weight	363.37 g/mol
Molecular Formula	C20H17N3O4
Canonical SMILES	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O
InChI	InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1
InChI Key	FUXVKZWTXQUGMW-FQEVSTJZSA-N
Boiling Point	819.6±65.0 °C
Melting Point	142-145 °C
Purity	98%
Density	1.55±0.1 g/ml
Appearance	Powder
Storage	store at 10℃-25℃
Complexity	775
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	363.12190603
Harmonized Tariff Code	Switzerland: 29214920 - USA: 2921494500 - Slovakia: 2921490065 - UK: 2921490000 - China: 2921499090
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O
MDL Number	MFCD00909855
Monoisotopic Mass	363.12190603
PhysicalState	Solid
Rotatable Bond Count	1
Topological Polar Surface Area	106 Ų

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