Hernangerine hydrobromide, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H17NO4.BrH
Molecular Weight	392.244
Optical Activity	( + )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Hernangerine hydrobromide, (+)-

Structure Search

SMILES

Br.COC1=C2C(C[C@@H]3NCCC4=CC5=C(OCO5)C2=C34)=CC=C1O

InChI

InChIKey=YLVREAZYRKWQMQ-MERQFXBCSA-N

InChI=1S/C18H17NO4.BrH/c1-21-17-12(20)3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17;/h2-3,7,11,19-20H,4-6,8H2,1H3;1H/t11-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C18H17NO4
Molecular Weight	311.3319
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:30:41 GMT 2025` Edited by `admin` on `Wed Apr 02 17:30:41 GMT 2025`
Record UNII	JUH8GQ6ABZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Hernangerine hydrobromide

Preferred Name

English

Hernangerine hydrobromide, (+)-

Common Name

English

(12S)-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0{2,6}.0{8,20}.0{14,19}]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol hydrobromide

Systematic Name

English

6a?-Noraporphin-10-ol, 11-methoxy-1,2-(methylenedioxy)-, hydrobromide

Systematic Name

English

5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-11-ol, 6,7,7a,8-tetrahydro-12-methoxy-, hydrobromide, (7aS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

JUH8GQ6ABZ

Created by admin on Wed Apr 02 17:30:41 GMT 2025 , Edited by admin on Wed Apr 02 17:30:41 GMT 2025

PRIMARY

PUBCHEM

45264832

Created by admin on Wed Apr 02 17:30:41 GMT 2025 , Edited by admin on Wed Apr 02 17:30:41 GMT 2025

PRIMARY

CAS

14140-30-8

Created by admin on Wed Apr 02 17:30:41 GMT 2025 , Edited by admin on Wed Apr 02 17:30:41 GMT 2025

PRIMARY

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Hernangerine, (+)-

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Amount: