9-BROMONOSCAPINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22BrNO7
Molecular Weight	492.317
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(OC(=O)C2=C1C=CC(OC)=C2OC)[C@]3([H])N(C)CCC4=C(Br)C5=C(OCO5)C(OC)=C34

InChI

InChIKey=PLMUFLAOTAHIIZ-SJORKVTESA-N

InChI=1S/C22H22BrNO7/c1-24-8-7-10-13(19(28-4)21-20(15(10)23)29-9-30-21)16(24)17-11-5-6-12(26-2)18(27-3)14(11)22(25)31-17/h5-6,16-17H,7-9H2,1-4H3/t16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H22BrNO7
Molecular Weight	492.317
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:28:31 GMT 2023` Edited by `admin` on `Sat Dec 16 08:28:31 GMT 2023`
Record UNII	R2YRH3UHW9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9-BROMONOSCAPINE

Common Name

English

(S)-3-((R)-9-BROMO-4-METHOXY-6-METHYL-5,6,7,8-TETRAHYDRO-(1,3)DIOXOLO(4,5-G)ISOQUINOLIN-5-YL)-6,7-DIMETHOXYISOBENZOFURAN-1(3H)-ONE

Systematic Name

English

(-)-EM-011

Common Name

English

EM-011

Code

English

1(3H)-ISOBENZOFURANONE, 3-((5R)-9-BROMO-5,6,7,8-TETRAHYDRO-4-METHOXY-6-METHYL-1,3-DIOXOLO(4,5-G)ISOQUINOLIN-5-YL)-6,7-DIMETHOXY-, (3S)-

Systematic Name

English

(3S)-3-((5R)-9-BROMO-5,6,7,8-TETRAHYDRO-4-METHOXY-6-METHYL-1,3-DIOXOLO(4,5-G)ISOQUINOLIN-5-YL)-6,7-DIMETHOXY-1(3H)-ISOBENZOFURANONE

Systematic Name

English

Code System Code Type Description

FDA UNII

R2YRH3UHW9

Created by admin on Sat Dec 16 08:28:31 GMT 2023 , Edited by admin on Sat Dec 16 08:28:31 GMT 2023

PRIMARY

PUBCHEM

10255081

Created by admin on Sat Dec 16 08:28:31 GMT 2023 , Edited by admin on Sat Dec 16 08:28:31 GMT 2023

PRIMARY

CAS

488721-01-3

Created by admin on Sat Dec 16 08:28:31 GMT 2023 , Edited by admin on Sat Dec 16 08:28:31 GMT 2023

PRIMARY

Related Record Type Details


					R2YRH3UHW9

9-BROMONOSCAPINE

ACTIVE MOIETY