HTL-9936

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H35N3O3
Molecular Weight	365.5102
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)N1CCC[C@@H](CC1)N2CCC(CC2)C(=O)NC3(C)CCC3

InChI

InChIKey=AQEAWDQQWHVFAX-KRWDZBQOSA-N

InChI=1S/C20H35N3O3/c1-3-26-19(25)23-12-4-6-17(9-15-23)22-13-7-16(8-14-22)18(24)21-20(2)10-5-11-20/h16-17H,3-15H2,1-2H3,(H,21,24)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H35N3O3
Molecular Weight	365.5102
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:50:07 GMT 2023` Edited by `admin` on `Sat Dec 16 19:50:07 GMT 2023`
Record UNII	EF9QE9L2JL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HTL-9936

Code

English

Ethyl (4S)-hexahydro-4-[4-[[(1-methylcyclobutyl)amino]carbonyl]-1-piperidinyl]-1H-azepine-1-carboxylate

Systematic Name

English

1H-Azepine-1-carboxylic acid, hexahydro-4-[4-[[(1-methylcyclobutyl)amino]carbonyl]-1-piperidinyl]-, ethyl ester, (4S)-

Systematic Name

English

HTL9936

Code

English

HTL0009936

Code

English

Code System Code Type Description

CAS

1438242-59-1

Created by admin on Sat Dec 16 19:50:07 GMT 2023 , Edited by admin on Sat Dec 16 19:50:07 GMT 2023

PRIMARY

PUBCHEM

71528459

Created by admin on Sat Dec 16 19:50:07 GMT 2023 , Edited by admin on Sat Dec 16 19:50:07 GMT 2023

PRIMARY

FDA UNII

EF9QE9L2JL

Created by admin on Sat Dec 16 19:50:07 GMT 2023 , Edited by admin on Sat Dec 16 19:50:07 GMT 2023

PRIMARY

Related Record Type Details


					V23K99CV7G

MUSCARINIC ACETYLCHOLINE RECEPTOR M1

TARGET -> AGONIST

Comments:

full agonist; pERK1/2

Qualification:

EC50

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
CSF/PLASMA RATIO	PHARMACOKINETIC				Species PHARMACOKINETIC