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9-amino-CPT 2mg

CAT: 0628-A12540-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A12540-2Size:2 mg
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CAS Number
91421-43-1

Chemical Information

9-Aminocamptothecin

9-Aminocamptothecin is a pyranoindolizinoquinoline.

CAS Number91421-43-1
PubChem CID72402
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 FormulaC20H17N3O4
Molecular Weight363.4
XLogP0.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity775
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
InChIKey
FUXVKZWTXQUGMW-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of 9-Aminocamptothecin
CAS: 91421-43-1
CID: 72402
Formula: C20H17N3O4
MW: 363.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass363.12190603
Monoisotopic Mass363.12190603
Topological Polar Surface Area106 Ų
Heavy Atom Count27
Formal Charge0
Complexity775
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes