(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO(2,1-A)ISOQUINOLIN-2-YL L-ALANINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H34N2O4
Molecular Weight	390.5164
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO(2,1-A)ISOQUINOLIN-2-YL L-ALANINATE

Structure Search

SMILES

COC1=C(OC)C=C2[C@H]3C[C@@H](OC(=O)[C@H](C)N)[C@H](CC(C)C)CN3CCC2=C1

InChI

InChIKey=OHDSPBFKNIPJTA-RGIVZKHGSA-N

InChI=1S/C22H34N2O4/c1-13(2)8-16-12-24-7-6-15-9-20(26-4)21(27-5)10-17(15)18(24)11-19(16)28-22(25)14(3)23/h9-10,13-14,16,18-19H,6-8,11-12,23H2,1-5H3/t14-,16+,18+,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H34N2O4
Molecular Weight	390.5164
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:20:18 GMT 2025` Edited by `admin` on `Wed Apr 02 12:20:18 GMT 2025`
Record UNII	46Q4FNA3TC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

L-ALANINE (2R,3R,11BR)-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-3-(2-METHYLPROPYL)-2H-BENZO(A)QUINOLIZIN-2-YL ESTER

Preferred Name

English

(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO(2,1-A)ISOQUINOLIN-2-YL L-ALANINATE

Systematic Name

English

L-ALANINE, (2R,3R,11BR)-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-3-(2-METHYLPROPYL)-2H-BENZO(A)QUINOLIZIN-2-YL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

46Q4FNA3TC

Created by admin on Wed Apr 02 12:20:18 GMT 2025 , Edited by admin on Wed Apr 02 12:20:18 GMT 2025

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PUBCHEM

91245574

Created by admin on Wed Apr 02 12:20:18 GMT 2025 , Edited by admin on Wed Apr 02 12:20:18 GMT 2025

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CAS

1025504-57-7

Created by admin on Wed Apr 02 12:20:18 GMT 2025 , Edited by admin on Wed Apr 02 12:20:18 GMT 2025

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