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N-Desmethyl clotiazepam

CAT: 0931-T203043-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203043-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33671-37-3
Target
Drug Metabolite
Related Pathways
Metabolism
Bioactivity
N-Desmethyl clotiazepam (Desmethylclotiazepam) is an active metabolite of Clotiazepam.
Smiles
O=C1NC=2SC(=CC2C(=NC1)C=3C=CC=CC3Cl)CC
Molecular Formula
C15H13ClN2OS
Molecular Weight
304.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2H-Thieno(2,3-e)(1,4)diazepin-2-one, 1,3-dihydro-5-(o-chlorophenyl)-7-ethyl-
CAS Number33671-37-3
PubChem CID135848173
IUPAC Name5-(2-chlorophenyl)-7-ethyl-1,2-dihydrothieno[2,3-e][1,4]diazepin-3-one
Molecular FormulaC15H13ClN2OS
Molecular Weight304.8
XLogP4.5
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity415
SMILES
CCC1=CC2=C(S1)NCC(=O)N=C2C3=CC=CC=C3Cl
InChI
InChI=1S/C15H13ClN2OS/c1-2-9-7-11-14(10-5-3-4-6-12(10)16)18-13(19)8-17-15(11)20-9/h3-7,17H,2,8H2,1H3
InChIKey
JVAVSGKADCFITI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2H-Thieno(2,3-e)(1,4)diazepin-2-one, 1,3-dihydro-5-(o-chlorophenyl)-7-ethyl-
CAS: 33671-37-3
CID: 135848173
Formula: C15H13ClN2OS
MW: 304.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.8
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass304.0437119
Monoisotopic Mass304.0437119
Topological Polar Surface Area69.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity415
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

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Alternative Products

CatalogName
TRC-D291535-100MGN-Desmethyl Clotiazepam
CS-O-63716N-Nitroso de-diazepin-2-one Clotiazepam
TRC-C587410-10MGClotiazepam
TRC-A416770-25MGAcetyl Clotiazepam
268659-01Clotiazepam discontinued
TRC-C587412-1MGClotiazepam-13C,d3
CS-T-02182Clotiazepam Impurity 2
MBS130369-01N-desmethyl MDV3100, N-desmethyl-Enzalutamide
TRC-N577440-50MGN-Desmethyl N-Nitroso Desmethyl Doxylamine
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