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Drotaverine hydrochloride

CAT: 0926-FD22624-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FD22624-01Size:250 mg
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CAS Number
985-12-6
Synonyms
Isodihydroperparine hydrochloride
MDL Number
MFCD01754602
Smiles
Cl.CCOc1ccc (\C=C/2\NCCc3cc (OCC) c (OCC) cc23) cc1OCC
Molecular Formula
C24H32ClNO4
Molecular Weight
433.97 g/mol
Controlled
No

Chemical Information

Drotaverine Hydrochloride

See also: Drotaverine (has active moiety); Tebuconazole (annotation moved to); Nicospan (annotation moved to).

CAS Number985-12-6
PubChem CID6437861
IUPAC Name(1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline;hydrochloride
Molecular FormulaC24H32ClNO4
Molecular Weight434.0
Topological Polar Surface Area49
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity511
SMILES
CCOC1=C(C=C(C=C1)/C=C\2/C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.Cl
InChI
InChI=1S/C24H31NO4.ClH/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;/h9-10,13-16,25H,5-8,11-12H2,1-4H3;1H/b20-13-;
InChIKey
JBFLYOLJRKJYNV-MASIZSFYSA-N
Chemical Structure
2D Structure
2D structure of Drotaverine Hydrochloride
CAS: 985-12-6
CID: 6437861
Formula: C24H32ClNO4
MW: 434.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass433.2019862
Monoisotopic Mass433.2019862
Topological Polar Surface Area49 Ų
Heavy Atom Count30
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
011001-01Drotaverine Hydrochloride
HY-108974-01Drotaverine (hydrochloride)
TRC-D689702-100MGDrotaverine-d10 Hydrochloride
HY-108974R-01Drotaverine (hydrochloride) (Standard)
HY-108974S-01Drotaverine-d10 (hydrochloride)
RM-D331028-01Drotaverine hydrochloride Impurity 28
RM-D331025-01Drotaverine Hydrochloride Impurity 25
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