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SN 392

CAT: 0013-GTR19281097-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19281097-02Size:10 mg
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Description
SN 392 is a derivative of Camptothecin, which is a potent antineoplastic alkaloid.
CAS Number
124622-76-0
Smiles
C (C) C1=C2C (C=3N (C2) C (=O) C4=C (C3) [C@] (CC) (O) C (=O) OC4) =NC=5C1=CC (N) =CC5
Molecular Formula
C22H21N3O4
Molecular Weight
391.43
Notes
For research use only.

Chemical Information

CID 10023347
CAS Number124622-76-0
PubChem CID10023347
IUPAC Name(19S)-7-amino-10,19-diethyl-19-hydroxy-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
Molecular FormulaC22H21N3O4
Molecular Weight391.4
XLogP1.1
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity821
SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)N
InChI
InChI=1S/C22H21N3O4/c1-3-12-13-7-11(23)5-6-17(13)24-19-14(12)9-25-18(19)8-16-15(20(25)26)10-29-21(27)22(16,28)4-2/h5-8,28H,3-4,9-10,23H2,1-2H3/t22-/m0/s1
InChIKey
ZUDVVHHNGRMBFE-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of CID 10023347
CAS: 124622-76-0
CID: 10023347
Formula: C22H21N3O4
MW: 391.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight391.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass391.15320616
Monoisotopic Mass391.15320616
Topological Polar Surface Area106 Ų
Heavy Atom Count29
Formal Charge0
Complexity821
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