3-Methoxy-11-methyl-4a,5,7,8,9,10,11,12-octahydro-6H-benzo[2,3]benzofuro[4,3-cd]azepin-6-yl benzoate, (4aS,6S,8aR)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H27NO4
Molecular Weight	393.4755
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Methoxy-11-methyl-4a,5,7,8,9,10,11,12-octahydro-6H-benzo[2,3]benzofuro[4,3-cd]azepin-6-yl benzoate, (4aS,6S,8aR)-

Structure Search

SMILES

COC1=CC=C2CN(C)CC[C@@]34CC[C@@H](C[C@@H]3OC1=C24)OC(=O)C5=CC=CC=C5

InChI

InChIKey=ICHRLQKTQZRDSB-WXVUKLJWSA-N

InChI=1S/C24H27NO4/c1-25-13-12-24-11-10-18(28-23(26)16-6-4-3-5-7-16)14-20(24)29-22-19(27-2)9-8-17(15-25)21(22)24/h3-9,18,20H,10-15H2,1-2H3/t18-,20-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H27NO4
Molecular Weight	393.4755
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:24:19 GMT 2025` Edited by `admin` on `Wed Apr 02 19:24:19 GMT 2025`
Record UNII	UTS3SS789Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methoxy-11-methyl-4a,5,7,8,9,10,11,12-octahydro-6H-benzo[2,3]benzofuro[4,3-cd]azepin-6-yl benzoate, (4aS,6S,8aR)-

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English

Code System Code Type Description

FDA UNII

UTS3SS789Q

Created by admin on Wed Apr 02 19:24:19 GMT 2025 , Edited by admin on Wed Apr 02 19:24:19 GMT 2025

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PUBCHEM

170181460

Created by admin on Wed Apr 02 19:24:19 GMT 2025 , Edited by admin on Wed Apr 02 19:24:19 GMT 2025

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