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7-MAD-MDCPT hydrochloride

CAT: 0013-GTR19263880-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263880-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
7-MAD-MDCPT hydrochloride, a camptothecin analogue, serves as the active component in antibody-drug conjugates (ADC) .
CAS Number
2740593-09-1
Smiles
C (N) C1=C2C (C=3N (C2) C (=O) C4=C (C3) [C@] (CC) (O) C (=O) OC4) =NC=5C1=CC6=C (C5) OCO6.Cl
Molecular Formula
C22H20ClN3O6
Molecular Weight
457.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-MAD-MDCPT hydrochloride
CAS Number2740593-09-1
PubChem CID171699703
IUPAC Name(5S)-14-(aminomethyl)-5-ethyl-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione;hydrochloride
Molecular FormulaC22H20ClN3O6
Molecular Weight457.9
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity902
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCO6)CN)O.Cl
InChI
InChI=1S/C22H19N3O6.ClH/c1-2-22(28)14-4-16-19-12(7-25(16)20(26)13(14)8-29-21(22)27)11(6-23)10-3-17-18(31-9-30-17)5-15(10)24-19;/h3-5,28H,2,6-9,23H2,1H3;1H/t22-;/m0./s1
InChIKey
XRTJCUGMWFFKCW-FTBISJDPSA-N
Chemical Structure
2D Structure
2D structure of 7-MAD-MDCPT hydrochloride
CAS: 2740593-09-1
CID: 171699703
Formula: C22H20ClN3O6
MW: 457.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass457.1040631
Monoisotopic Mass457.1040631
Topological Polar Surface Area124 Ų
Heavy Atom Count32
Formal Charge0
Complexity902
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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