3-Hydroxy clonazepam

CAT: 0926-FH23953-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-FH23953-02Size:5 mg

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CAS Number

41993-28-6

Synonyms

5- (2-Chlorophenyl) -1,3-dihydro-3-hydroxy-7-nitro-2H-1,4-benzodiazepin-2-one

Smiles

C1=CC=C (C (=C1) C2=NC (C (=O) NC3=C2C=C (C=C3) [N+] (=O) [O-]) O) Cl

Molecular Formula

C15H10ClN3O4

Molecular Weight

331.71 g/mol

Controlled

Yes

Chemical Information

5-(2-Chlorophenyl)-1,3-dihydro-3-hydroxy-7-nitro-2H-1,4-benzodiazepin-2-one

CAS Number	41993-28-6
PubChem CID	148438
IUPAC Name	5-(2-chlorophenyl)-3-hydroxy-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
Molecular Formula	C15H10ClN3O4
Molecular Weight	331.71
XLogP	1.6
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	521

SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C15H10ClN3O4/c16-11-4-2-1-3-9(11)13-10-7-8(19(22)23)5-6-12(10)17-14(20)15(21)18-13/h1-7,15,21H,(H,17,20)

InChIKey

PXYFSCYZVIJNHG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41993-28-6

CID: 148438

Formula: C15H10ClN3O4

MW: 331.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	331.71
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	331.0359835
Monoisotopic Mass	331.0359835
Topological Polar Surface Area	108 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	521
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
Q-200880-01	Clonazepam
VGA08215-01	Clonazepam-d4
FM25479	Methyl clonazepam
FA17363-01	7-Amino clonazepam
FCA19889-01	Clonazepam related compound A
CCA13087	Clonazepam Related Compound C
DBA03022-01	3-Hydroxy-3- (3-hydroxy-4-methoxyphenyl) propanoic acid
FCC20847-01	3-Hydroxy-3-aminomethyloxetane
GFA80269-01	3-Hydroxy-3-phenylpentanamide
FH46212-01	3-Hydroxy thalidomide

Catalog	Name
CS-O-39456	3-Hydroxy clonazepam
279055-01	3-Hydroxy clonazepam discontinued
RM-C151503-01	Clonazepam Impurity 3
TRC-A603590-100MG	3-Amino-4-(2-chlorophenyl)-6-nitro-2(1H)-quinolinone (Clonazepam Impurity)
CS-T-65483	3-Amino-4- (2-chlorophenyl) -6-nitro-2 (1H) -quinolinone-d4 (Clonazepam Impurity)
002085	3-Amino-4- (2-chlorophenyl) -6-nitro-2 (1H) -quinolinone-d4 (Clonazepam Impurity) discontinued
AR-C05391-01	Clonazepam
CS-T-57147	Clonazepam D4
MBS568285-01	Clonazepam Antibody
TRC-M294485-5MG	Methyl Clonazepam