Ketamine Hydrochloride Impurity 5

CAT: 1299-RM-K052032-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-K052032-01Size:10 mg

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CAS Number

153381-94-3

Synonyms

(S) -1-amino-2'-chloro-5,6-dihydro-[1,1'-biphenyl]-2 (1H) -one

Molecular Formula

C12H12ClNO

Molecular Weight

221.68

Target Alternative Name

Ketamine

Product Name Synonym

(S) -1-amino-2'-chloro-5,6-dihydro-[1,1'-biphenyl]-2 (1H) -one

Chemical Information

Dehydronorketamine, (S)-

CAS Number	153381-94-3
PubChem CID	89504261
IUPAC Name	(6S)-6-amino-6-(2-chlorophenyl)cyclohex-2-en-1-one
Molecular Formula	C12H12ClNO
Molecular Weight	221.68
XLogP	2.2
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	289

SMILES

C1C[C@@](C(=O)C=C1)(C2=CC=CC=C2Cl)N

InChI

InChI=1S/C12H12ClNO/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15/h1-3,5-7H,4,8,14H2/t12-/m0/s1

InChIKey

BXBPJMHHWPXBJL-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 153381-94-3

CID: 89504261

Formula: C12H12ClNO

MW: 221.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.68
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	221.0607417
Monoisotopic Mass	221.0607417
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	289
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-K052031-01	Ketamine Hydrochloride Impurity 4
RM-K052029-01	Ketamine Hydrochloride Impurity 2
RM-K052030-01	Ketamine Hydrochloride Impurity 3
RM-K052028-01	Ketamine Hydrochloride Impurity 1
RM-K052037-01	Ketamine Impurity 5
RM-E191101-01	Esketamine Hydrochloride EP Impurity A; Ketamine Hydrochloride EP Impurity A
RM-E191103-01	Esketamine Hydrochloride EP Impurity C; Ketamine Hydrochloride EP Impurity C
RM-E191102-01	Esketamine Hydrochloride EP Impurity B; Ketamine Hydrochloride EP Impurity B
RM-K052033-01	Ketamine Impurity 1
RM-K052036-01	Ketamine Impurity 4

Catalog	Name
CS-P-00974	Ketamine Hydrochloride EP Impurity C
Q-201266-01	Ketamine hydrochloride
CS-W-00299	Ketamine-d3 Hydrochloride
K-1601-01	(S) - (+) -Ketamine hydrochloride
4379/1G	(S)-(+)-Ketamine hydrochloride
AR-K01605-01	Ketamine Impurity 2
CS-T-57068	Ketamine-d4 Hydrochloride
IBA79524-01	(R) - (-) -Ketamine hydrochloride
TRC-K165305-50MG	(R)-Ketamine Hydrochloride
TRC-K165310-10MG	(S)-Ketamine Hydrochloride