Brucine Sulfate Heptahydrate [for Nitrate Analysis] | CAS No. 60583-39-3

Basic Information

CAS Number

60583-39-3

Molecular Formula

C46H68N4O19S

Molecular Weight

1013.10 g/mol

Quick Actions

Basic Physical Properties

Melting Point

180°C (dec.)

Water Solubility

Soluble in hot water.

Specific Rotation

-24 ~ -27° (c=1 in H2O)

SMILES

COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.O.O.O.O.O.O.O.OS(=O)(=O)O

InChI

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

InChIKey

PPJIVFYMRNHHTJ-JYGVWXPPSA-N

LogP

-2.206299999999993

Topological Polar Surface Area

397.58000000000004 Å²

Hydrogen Bond Donor/Acceptor

16 / 23

Complexity

866

Classification & Uses

Chemical Classification

Pharmaceutical Products APIs & Intermediates Intermediates

Safety Information

Hazard Statement

H301+H331-H320-H335-H371-H412

Hazard Class

6.1

Synonyms & References

English

(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;heptahydrate
UNII-O900CDH328
Q27285491
brucine sulphate heptahydrate
Brucine sulfate heptahydrate, ACS reagent
Brucine sulfate heptahydrate
60583-39-3
s6172
4845-99-2
BRUCINE SULFATE HEPTAHYDRATE [MI]
10,11-Dimethoxystrychnine sulfate heptahydrate
O900CDH328
10,11-DIMETHOXYSTRYCHNINE SULPHATE HEPTAHYDRATE
2,3-Dimethoxystrychnidin-10-one sulfate (1:1) heptahydrate
Brucine sulphate
2,3-DIMETHOXYSTRYCHNIDIN-10-ONESULPHATE HEPTAHYDRATE
2,3-Dimethoxystrychnidin-10-onesulfate heptahydrate
Strychnidin-10-one, 2,3-dimethoxy-, sulfate (1:1), heptahydrate
HMS3886J09
Brucine sulfate
Brucine Sulfate Heptahydrate[for Nitrate Analysis]
BRUCINE SULFATE HEPTAHYDRATE
Brucine Sulfate Heptahydrate [for Nitrate Analysis]
AK176350
(4Ar,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoi

MDL_Number

MFCD00150159

CAS Number

60583-39-3

Merck_Index

1455

Supplier Information

Supplier Name	Member Level	Authentication Status	Main Category	MOQ	Action
China - Shanghai Yinxin Laboratory Equipment Co., Ltd.
China - Hubei Chenghai Chemical Co., Ltd.
China - Hubei Tuopan Chemical Co., Ltd.
China - Shanghai Yuyeh Biotechnology Co., Ltd.
Indonesia - Riau Prima Energi
China - Shanghai Jiubang Chemical Co., Ltd.
Mexico - Camen Química, S.A. de C.V.
Germany - LAP GmbH