Cas no 652154-10-4 (Brucine sulfate hydrate)
Brucine sulfate hydrate structure
Product Name:Brucine sulfate hydrate
CAS No:652154-10-4
MF:C46H56N4O13S
MW:905.020852088928
CID:92970
PubChem ID:16211422
Update Time:2025-04-19
Brucine sulfate hydrate Chemical and Physical Properties
Names and Identifiers
-
- Brucine sulfate hydrate
- (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]quinoline-14-one,sulfuric acid,hydrate
- Brucine sulfate salt hydrate
- Brucine sulfate hydrate(2:1:x)
- brucine sulfate salt
- 652154-10-4
- (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;hydrate
- DTXSID40583423
- 10,11-Dimethoxystrychninesulfate salt
- DYCXTLLGAUPAQK-YZWZKZGNSA-N
-
- MDL： MFCD00150158
- Inchi： 1S/2C23H26N2O4.H2O4S.H2O/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);1H2/t2*13-,18-,19-,21-,22-,23+;;/m00../s1
- InChI Key： DYCXTLLGAUPAQK-YZWZKZGNSA-N
- SMILES： S(=O)(=O)(O)O.O1CC=C2CN3CC[C@@]45C6C=C(C(=CC=6N6C(C[C@H]1[C@H]([C@H]2C[C@H]34)[C@H]65)=O)OC)OC.O1CC=C2CN3CC[C@@]45C6C=C(C(=CC=6N6C(C[C@H]1[C@H]([C@H]2C[C@H]34)[C@H]65)=O)OC)OC.O
Computed Properties
- Exact Mass: 510.16700
- Monoisotopic Mass: 904.35645903g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 64
- Rotatable Bond Count: 4
- Complexity: 866
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 12
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: nothing
- Topological Polar Surface Area: 187?2
Experimental Properties
- Color/Form: White crystals
- Melting Point: ~185?°C (dec.)(lit.)
- Water Partition Coefficient: Soluble in water.
- PSA: 143.45000
- LogP: 2.47630
- Merck: 14,1455
- Sensitiveness: Hygroscopic
- Solubility: Soluble in water
Brucine sulfate hydrate Security Information
- Signal Word：Danger
- Hazard Statement： H300-H330-H412
- Warning Statement： P260-P264-P273-P284-P310
- Hazardous Material transportation number：UN 1544 6.1/PG 2
- WGK Germany：3
- Hazard Category Code： 26/28-52/53
- Safety Instruction： S13; S45; S61
-
Hazardous Material Identification：
- HazardClass：6.1
- PackingGroup：Ⅱ
- Safety Term：6.1
- Risk Phrases：R26/28; R52/53
- Storage Condition：Toxic room
Brucine sulfate hydrate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| S e l l e c k ZHONG GUO | S4390-50mg |
Brucine |
652154-10-4 | 98% | 50mg |
￥805.03 | 2023-09-15 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-239432-25 g |
Brucine sulfate salt, |
652154-10-4 | ≥98% | 25g |
￥451.00 | 2023-07-11 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-239432-25g |
Brucine sulfate salt, |
652154-10-4 | ≥98% | 25g |
￥451.00 | 2023-09-05 |
Brucine sulfate hydrate Related Literature
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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