LBT-999

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H26FNO2
Molecular Weight	331.4243
Optical Activity	( - )
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1C3=CC=C(C)C=C3)N2C\C=C\CF

InChI

InChIKey=XZWRXMFAFBSAJC-BFKYMBCJSA-N

InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16-,17+,18+,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H26FNO2
Molecular Weight	331.4243
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:59:43 GMT 2025` Edited by `admin` on `Wed Apr 02 20:59:43 GMT 2025`
Record UNII	6WKC8VL781
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LBT-999

Code

English

LBT999

Preferred Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-((2E)-4-FLUORO-2-BUTENYL)-3-(4-METHYLPHENYL)-, METHYL ESTER, (1R,2S,3S,5S)-

Systematic Name

English

Methyl (1R,2S,3S,5S)-8-[(2E)-4-fluoro-2-buten-1-yl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

Systematic Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-((2E)-4-FLUORO-2-BUTEN-1-YL)-3-(4-METHYLPHENYL)-, METHYL ESTER, (1R,2S,3S,5S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

57391708

Created by admin on Wed Apr 02 20:59:43 GMT 2025 , Edited by admin on Wed Apr 02 20:59:43 GMT 2025

PRIMARY

SMS_ID

300000032602

Created by admin on Wed Apr 02 20:59:43 GMT 2025 , Edited by admin on Wed Apr 02 20:59:43 GMT 2025

PRIMARY

FDA UNII

6WKC8VL781

Created by admin on Wed Apr 02 20:59:43 GMT 2025 , Edited by admin on Wed Apr 02 20:59:43 GMT 2025

PRIMARY

CAS

877467-20-4

Created by admin on Wed Apr 02 20:59:43 GMT 2025 , Edited by admin on Wed Apr 02 20:59:43 GMT 2025

PRIMARY

Related Record Type Details


					13B48I9DYT

LBT-999 F-18

LABELED -> NON-LABELED

Amount: