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237868

Brucine sulfate heptahydrate

Name: Brucine sulfate heptahydrate
Brand: SIAL

ACS reagent grade, solid

Synonym(s):

2,3-Dimethoxystrychnidin-10-one sulfate heptahydrate

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About This Item

Linear Formula:

(C₂₃H₂₆N₂O₄)₂ · H₂SO₄ · 7H₂O

CAS Number:

60583-39-3

Molecular Weight:

1013.11

NACRES:

NA.21

PubChem Substance ID:

24854274

UNSPSC Code:

12352100

EC Number:

225-432-9

MDL number:

MFCD00150159

Form:

solid

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Properties

Product Name

Brucine sulfate heptahydrate, ACS reagent

grade

ACS reagent

Quality Segment

200

form

solid

optical activity

[α]22/D −24°, c = 1 in H₂O

ign. residue

≤0.1%

loss

≤13.0% loss on drying

mp

180 °C (dec.) (lit.)

functional group

ether

SMILES string

[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].OS(O)(=O)=O.[H][C@@]12CC(=O)N3c4cc(OC)c(OC)cc4[C@]56CC[N@@H]7CC(=CCO1)[C@H](C[C@@H]57)[C@]2([H])[C@]36[H].[H][C@@]89CC(=O)N%10c%11cc(OC)c(OC)cc%11[C@]%12%13CC[N@@H]%14CC(=CCO8)[C@H](C[C@@H]%12%14)[C@]9([H])[C@]%10%13[H]

InChI

1S/2C23H26N2O4.H2O4S.7H2O/c2*1-27-16-8-14-15(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;1-5(2,3)4;;;;;;;/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);7*1H2/t2*13-,18-,19-,21-,22-,23+;;;;;;;;/m00......../s1

InChI key

PPJIVFYMRNHHTJ-JYGVWXPPSA-N

Description

pictograms

GHS06

signalword

Danger

hcodes

H300 + H330,H412

pcodes

P260 - P264 - P271 - P273 - P284 - P304 + P340 + P310

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Aquatic Chronic 3

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c