Products for Research Use Only
RegisterLogin

Enerisant HCl

CAT: 0127-BUP01037-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP01037-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1152749-07-9
Purity
=98%
Smiles
C(=O)(C1=CN(N=C1)C2=CC=C(OCCCN3[C@H](C)CCC3)C=C2)N4CCOCC4.Cl

Chemical Information

Enerisant hydrochloride
CAS Number1152749-07-9
PubChem CID66933564
IUPAC Name[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-morpholin-4-ylmethanone;hydrochloride
Molecular FormulaC22H31ClN4O3
Molecular Weight435.0
Topological Polar Surface Area59.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity520
SMILES
C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)N3C=C(C=N3)C(=O)N4CCOCC4.Cl
InChI
InChI=1S/C22H30N4O3.ClH/c1-18-4-2-9-24(18)10-3-13-29-21-7-5-20(6-8-21)26-17-19(16-23-26)22(27)25-11-14-28-15-12-25;/h5-8,16-18H,2-4,9-15H2,1H3;1H/t18-;/m1./s1
InChIKey
QVMTVPSORZKQPZ-GMUIIQOCSA-N
Chemical Structure
2D Structure
2D structure of Enerisant hydrochloride
CAS: 1152749-07-9
CID: 66933564
Formula: C22H31ClN4O3
MW: 435.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass434.2084686
Monoisotopic Mass434.2084686
Topological Polar Surface Area59.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity520
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
BUP02820-01Enerisant
OR1102554-01Golotimod HCl
BUP22165Delequamine HCl
BUP21770Panomifene HCl
BUP21034-01ICSN3250 HCl
BUP20985-01Pulrodemstat HCl
BUP20399Upacicalcet HCl
BUP19022Methoxyamine HCl
OR1024849-01Maprotiline HCl
BUP00985-01Lipoxamycin HCl

Alternative Products

CatalogName
BA5412-5Enerisant
HY-17610A-01Enerisant (hydrochloride)
GTR19209902-01Enerisant hydrochloride
M36346-01Enerisant HCl

Popular Products