Products for Research Use Only
RegisterLogin

Anastrozole Monoamide

CAT: 0572-TRC-A637325-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-A637325-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
120512-03-0
Synonyms
Benzeneacetamide, 3-(1-cyano-1-methylethyl)-α,α-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-; 2-[3-(2-Cyanopropan-2-yl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanamide
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C(=O)N
Molecular Formula
C17 H21 N5 O
Molecular Weight
311.38
InChI
InChI=1S/C17H21N5O/c1-16(2,9-18)13-5-12(8-22-11-20-10-21-22)6-14(7-13)17(3,4)15(19)23/h5-7,10-11H,8H2,1-4H3,(H2,19,23)
Additionnal Information
IUPAC name: 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Anastrozole monoamide
CAS Number120512-03-0
PubChem CID19349429
IUPAC Name2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanamide
Molecular FormulaC17H21N5O
Molecular Weight311.4
XLogP1.9
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity492
SMILES
CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C(=O)N
InChI
InChI=1S/C17H21N5O/c1-16(2,9-18)13-5-12(8-22-11-20-10-21-22)6-14(7-13)17(3,4)15(19)23/h5-7,10-11H,8H2,1-4H3,(H2,19,23)
InChIKey
PTMXOEDIIUCXST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anastrozole monoamide
CAS: 120512-03-0
CID: 19349429
Formula: C17H21N5O
MW: 311.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass311.17461031
Monoisotopic Mass311.17461031
Topological Polar Surface Area97.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity492
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-A637425-50MGAnastrozole
TRC-A637425-100MGAnastrozole
TRC-A637425-10MGAnastrozole
TRC-A637427-1MGAnastrozole-d12
TRC-A637315-50MGAnastrozole Diamide
TRC-A637315-100MGAnastrozole Diamide
TRC-A637315-10MGAnastrozole Diamide
TRC-A637355-10MGAnastrozole Diacid
TRC-A637427-10MGAnastrozole-d12
TRC-I779970-10MGIsoanastrozole Monoamide

Alternative Products

CatalogName
441535-01Anastrozole Monoamide
AR-A02168-01Anastrozole Monoamide Imp
441536-01Anastrozole Monoamide-d12
B2177-50Anastrozole
452512-01Isoanastrozole Monoamide
460747-01Nifedipine Monoamide

Popular Products