BOC-VALBENAZINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H46N2O6
Molecular Weight	518.6853
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@H](OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H](CC(C)C)CN1CCC3=CC(OC)=C(OC)C=C23

InChI

InChIKey=TXYMVANDPQOMEU-DNRBGDKYSA-N

InChI=1S/C29H46N2O6/c1-17(2)12-20-16-31-11-10-19-13-24(34-8)25(35-9)14-21(19)22(31)15-23(20)36-27(32)26(18(3)4)30-28(33)37-29(5,6)7/h13-14,17-18,20,22-23,26H,10-12,15-16H2,1-9H3,(H,30,33)/t20-,22-,23-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H46N2O6
Molecular Weight	518.6853
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 `Sat Dec 16 18:31:15 GMT 2023` Edited by `admin` on `Sat Dec 16 18:31:15 GMT 2023`
Record UNII	ECL7G95L2Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BOC-VALBENAZINE

Common 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 (TERT-BUTOXYCARBONYL)-L-VALINATE

Systematic Name

English

L-VALINE, N-((1,1-DIMETHYLETHOXY)CARBONYL)-, (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

(S)-2-TERT-BUTOXYCARBONYLAMINO-3-METHYL-BUTYRIC ACID (2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO(2,1-A) ISOQUINOLIN-2-YL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

ECL7G95L2Z

Created by admin on Sat Dec 16 18:31:15 GMT 2023 , Edited by admin on Sat Dec 16 18:31:15 GMT 2023

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CAS

2102090-16-2

Created by admin on Sat Dec 16 18:31:15 GMT 2023 , Edited by admin on Sat Dec 16 18:31:15 GMT 2023

PRIMARY

PUBCHEM

129278928

Created by admin on Sat Dec 16 18:31:15 GMT 2023 , Edited by admin on Sat Dec 16 18:31:15 GMT 2023

PRIMARY