CAS 129672-23-7

(6aR,13bS)-11-chloro-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol

Description:

The chemical substance known as (6aR,13bS)-11-chloro-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol, with the CAS number 129672-23-7, is a complex organic compound characterized by its unique bicyclic structure that incorporates both a benzo and naphtho moiety. This compound features a chloro substituent, which can influence its reactivity and biological activity. The stereochemistry indicated by the (6aR,13bS) designation suggests specific spatial arrangements of atoms, which can significantly affect the compound's pharmacological properties. As a hexahydro derivative, it possesses multiple saturated carbon rings, contributing to its stability and potential interactions with biological targets. The presence of a hydroxyl group (-OH) indicates that it may exhibit polar characteristics, enhancing its solubility in polar solvents. Such compounds are often investigated for their potential therapeutic applications, particularly in the fields of medicinal chemistry and drug development, due to their structural complexity and potential biological activity.

Formula: C₁₈H₁₈ClNO

InChI: InChI=1/C18H18ClNO/c19-15-9-12-7-8-20-16-6-5-11-3-1-2-4-13(11)18(16)14(12)10-17(15)21/h1-4,9-10,16,18,20-21H,5-8H2/t16-,18+/m1/s1

InChI key: InChIKey=NVHUFRKDLSFBFZ-PWQNQZOANA-N

SMILES: OC=1C=C2[C@]3(C=4C(CC[C@@]3(NCCC2=CC1Cl)[H])=CC=CC4)[H]

Synonyms:

• 5H-Benzo[d]naphth[2,1-b]azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-, trans-
• SCH 40853
• Ecopipam Impurity 1（N-Desmethyl Ecopipam）
• (6aR,13bS)-11-chloro-6,6a,7,8,9,13b-hexahydro-5H-naphtho[1,2-a][3]benzazepin-12-ol

N-Desmethyl Ecopipam-d4

CAS: 129672-23-7

Formula: C₁₈H₁₄D₄ClNO

Color and Shape: Pale Yellow Solid

Molecular weight: 303.82

Ref: 4Z-E-147004

N-Desmethyl Ecopipam

CAS: 129672-23-7

Formula: C₁₈H₁₈ClNO

Color and Shape: Pale Yellow Solid

Molecular weight: 299.80

Ref: 4Z-E-147003

Sch 40853

CAS: 129672-23-7

Sch 40853 is an active metabolite of a benzonaphthazepine antipsychotic agent.

Formula: C₁₈H₁₈ClNO

Color and Shape: Solid

Molecular weight: 299.80

Ref: TM-T28719

N-Desmethyl Ecopipam

CAS: 129672-23-7

Formula: C₁₈H₁₈ClNO

Molecular weight: 299.80

Ref: ST-EA-CP-E205001