Products for Research Use Only
RegisterLogin

Duocarmycin SA

CAT: 1596-AR-D07868-06Size: 250 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-D07868-06Size:250 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
130288-24-3
Molecular Formula
C25H23N3O7
Molecular Weight
477.47
API Name
Duocarmycin

Chemical Information

Duocarmycin Sa

Duocarmycin SA is an indolecarboxamide.

CAS Number130288-24-3
PubChem CID115369
IUPAC Namemethyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
Molecular FormulaC25H23N3O7
Molecular Weight477.5
XLogP2.6
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity971
SMILES
COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)C6=C5C=C(N6)C(=O)OC)OC)OC
InChI
InChI=1S/C25H23N3O7/c1-32-17-6-11-5-14(26-19(11)22(34-3)21(17)33-2)23(30)28-10-12-9-25(12)13-7-15(24(31)35-4)27-20(13)16(29)8-18(25)28/h5-8,12,26-27H,9-10H2,1-4H3/t12-,25-/m1/s1
InChIKey
VQNATVDKACXKTF-XELLLNAOSA-N
Chemical Structure
2D Structure
2D structure of Duocarmycin Sa
CAS: 130288-24-3
CID: 115369
Formula: C25H23N3O7
MW: 477.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass477.15360008
Monoisotopic Mass477.15360008
Topological Polar Surface Area123 Ų
Heavy Atom Count35
Formal Charge0
Complexity971
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-D02551-01Duocarmycin (CD-1)
AR-D07870-01Duocarmycin Impurity 2
AR-D07869-01Duocarmycin Impurity 1
AR-D07871-01Duocarmycin Impurity 3

Alternative Products

CatalogName
MBS3842936-01Duocarmycin
MBS5769013Duocarmycin A
M26182-01Duocarmycin TM
HY-130978-01Duocarmycin DM
T11115-01Duocarmycin GA
MBS130425-01Duocarmycin CN
A18472-100Duocarmycin 100mg
A21433-1Duocarmycin A 1mg
GTR19205999-01Duocarmycin MB
GTR19202727-01Duocarmycin Analog

Popular Products