BRUCINE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H26N2O4
Molecular Weight	394.4635
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BRUCINE

Structure Search

SMILES

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=C(C=C(OC)C(OC)=C7)[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H]

InChI

InChIKey=RRKTZKIUPZVBMF-IBTVXLQLSA-N

InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H26N2O4
Molecular Weight	394.4635
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:09:13 UTC 2023` Edited by `admin` on `Fri Dec 15 15:09:13 UTC 2023`
Record UNII	6NG17YCK6H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRUCINE

Common Name

English

BRUCINE [NFLIS-DRUG]

Common Name

English

BRUCINE [VANDF]

Common Name

English

BRUCINUM

Common Name

English

NSC-757797

Code

English

BRUCINE [MI]

Common Name

English

10,11-DIMETHOXYSTRYCHNINE

Common Name

English

2,3-DIMETHOXYSTRYCHNINE

Common Name

English

STRYCHNIDIN-10-ONE, 2,3-DIMETHOXY-

Common Name

English

BRUCINE [HSDB]

Common Name

English

BRUCINUM [HPUS]

Common Name

English

2,3-DIMETHOXYSTRYCHNIDIN-10-ONE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C221

Created by admin on Fri Dec 15 15:09:13 UTC 2023 , Edited by admin on Fri Dec 15 15:09:13 UTC 2023

Code System Code Type Description

MERCK INDEX

m2734

Created by admin on Fri Dec 15 15:09:13 UTC 2023 , Edited by admin on Fri Dec 15 15:09:13 UTC 2023

PRIMARY

Merck Index

RXCUI

2181419

Created by admin on Fri Dec 15 15:09:13 UTC 2023 , Edited by admin on Fri Dec 15 15:09:13 UTC 2023

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NSC

757797

Created by admin on Fri Dec 15 15:09:13 UTC 2023 , Edited by admin on Fri Dec 15 15:09:13 UTC 2023

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HSDB

307

Created by admin on Fri Dec 15 15:09:13 UTC 2023 , Edited by admin on Fri Dec 15 15:09:13 UTC 2023

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FDA UNII

6NG17YCK6H

Created by admin on Fri Dec 15 15:09:13 UTC 2023 , Edited by admin on Fri Dec 15 15:09:13 UTC 2023

PRIMARY

MESH

C083806

Created by admin on Fri Dec 15 15:09:13 UTC 2023 , Edited by admin on Fri Dec 15 15:09:13 UTC 2023

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NCI_THESAURUS

C87455

Created by admin on Fri Dec 15 15:09:13 UTC 2023 , Edited by admin on Fri Dec 15 15:09:13 UTC 2023

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CAS

357-57-3

Created by admin on Fri Dec 15 15:09:13 UTC 2023 , Edited by admin on Fri Dec 15 15:09:13 UTC 2023

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PUBCHEM

442021

Created by admin on Fri Dec 15 15:09:13 UTC 2023 , Edited by admin on Fri Dec 15 15:09:13 UTC 2023

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ECHA (EC/EINECS)

206-614-7

Created by admin on Fri Dec 15 15:09:13 UTC 2023 , Edited by admin on Fri Dec 15 15:09:13 UTC 2023

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WIKIPEDIA

BRUCINE

Created by admin on Fri Dec 15 15:09:13 UTC 2023 , Edited by admin on Fri Dec 15 15:09:13 UTC 2023

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EPA CompTox

DTXSID2024662

Created by admin on Fri Dec 15 15:09:13 UTC 2023 , Edited by admin on Fri Dec 15 15:09:13 UTC 2023

PRIMARY

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SOLVATE->ANHYDROUS


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BRUCINE SULFATE HEPTAHYDRATE

SALT/SOLVATE -> PARENT

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					6NG17YCK6H

BRUCINE

ACTIVE MOIETY