Products for Research Use Only
RegisterLogin

A 74932

CAT: 0013-GTR19198413-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19198413-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
A 74932
CAS Number
148201-60-9
Smiles
Cl.CCCC (N) C (=O) NC1CCCN1c1c (F) cc2c3c1oc1ccccc1n3cc (C (O) =O) c2=O
Molecular Formula
C25H26ClFN4O5
Molecular Weight
516.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A 74932

a quinobenzoxazine cpd with antitumor activity; structure given in first source

CAS Number148201-60-9
PubChem CID132825
IUPAC Name10-[2-(2-aminopentanoylamino)pyrrolidin-1-yl]-11-fluoro-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxylic acid;hydrochloride
Molecular FormulaC25H26ClFN4O5
Molecular Weight516.9
Topological Polar Surface Area125
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity899
SMILES
CCCC(C(=O)NC1CCCN1C2=C(C=C3C4=C2OC5=CC=CC=C5N4C=C(C3=O)C(=O)O)F)N.Cl
InChI
InChI=1S/C25H25FN4O5.ClH/c1-2-6-16(27)24(32)28-19-9-5-10-29(19)21-15(26)11-13-20-23(21)35-18-8-4-3-7-17(18)30(20)12-14(22(13)31)25(33)34;/h3-4,7-8,11-12,16,19H,2,5-6,9-10,27H2,1H3,(H,28,32)(H,33,34);1H
InChIKey
UFBYBJURMXBKFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 74932
CAS: 148201-60-9
CID: 132825
Formula: C25H26ClFN4O5
MW: 516.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass516.1575758
Monoisotopic Mass516.1575758
Topological Polar Surface Area125 Ų
Heavy Atom Count36
Formal Charge0
Complexity899
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19155839-01BI-749327
GTR19200026-01L-749372
GTR19197313-01L-749329
GTR19194141-01KB-74935
GTR19178346-01BI-749327

Alternative Products

CatalogName
T26441-01A 74932
HY-117613A-74932 (hydrochloride)

Popular Products