Products for Research Use Only
RegisterLogin

CAL 130 hydrochloride

CAT: 0926-FC64968-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FC64968-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1431697-78-7
MDL Number
MFCD25372043
Smiles
CC1=C2C (=CC=C1) N=C (N (C2=O) C3=CC=CC=C3C) [C@H] (C) NC4=NC (=NC5=C4NC=N5) N.Cl
Molecular Formula
C23H22N8O
Controlled
No

Chemical Information

CAL-130 (Hydrochloride)
CAS Number1431697-78-7
PubChem CID71576677
IUPAC Name2-[(1S)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one;hydrochloride
Molecular FormulaC23H23ClN8O
Molecular Weight462.9
Topological Polar Surface Area125
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity731
SMILES
CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)[C@H](C)NC4=NC(=NC5=C4NC=N5)N.Cl
InChI
InChI=1S/C23H22N8O.ClH/c1-12-7-4-5-10-16(12)31-21(28-15-9-6-8-13(2)17(15)22(31)32)14(3)27-20-18-19(26-11-25-18)29-23(24)30-20;/h4-11,14H,1-3H3,(H4,24,25,26,27,29,30);1H/t14-;/m0./s1
InChIKey
XEUIGTXAJSGCRB-UQKRIMTDSA-N
Chemical Structure
2D Structure
2D structure of CAL-130 (Hydrochloride)
CAS: 1431697-78-7
CID: 71576677
Formula: C23H23ClN8O
MW: 462.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass462.1683351
Monoisotopic Mass462.1683351
Topological Polar Surface Area125 Ų
Heavy Atom Count33
Formal Charge0
Complexity731
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

Related Products

CatalogName
LIA36406-01AT-130
EAA05159-01MSX-130
FT137730-01TRV-130·HCl
CRB1000467-01Leptin (116-130) Mouse
VAC-00458-01Doc-6 (130-145)
VAC-00457-01Dok-4 (130-145)
FH35059-01Hydroxyethyl starch - 130/0.4
FT137731-01TRV-130·HCl (racemic, 95%+)
BL10058_RRecombinant Human Glycoprotein 130 (gp130)
NAY-8291-VAnti Chromogranin A (94-130) (Rat) Serum

Alternative Products

CatalogName
300563Ligustrazine Hydrochloride (Chuanxiongzine hydrochloride)
D3190-91GDeoxynojirimycin Hydrochloride (DNJ Hydrochloride)
OR1043462-01Hydrochloride
MBS6103001-01O-Cyclopropylmethyl-hydroxylamine, Hydrochloride (Cyclopropylmethoxyamine, Hydrochloride, Cyclopropylmethoxylamine, Hydrochloride)
C7050-01Cysteamine hydrochloride; 2-AminoeThanethiol Hydrochloride; 2-Aminoethane-1-Thiol Hydrochloride; Mercaptamine Hydrochloride
P9050-45Propargylamine, Hydrochloride (2-Propynylamine, Hydrochloride)
46264200Thiamine hydrochloride (Vitamin B1 hydrochloride)
MBS6076243-01N-Butyldeoxynojirimycin, Hydrochloride (Miglustat, Hydrochloride)
A13041-100Istaroxime hydrochloride (PST2744 hydrochloride) 100mg
A13041-2Istaroxime hydrochloride (PST2744 hydrochloride) 2mg

Popular Products