Cas no 128255-13-0 (Benzamide, N-[(3a,5a,20S)-20-(dimethylamino)pregnan-3-yl]-N-methyl- (9CI))
![Benzamide, N-[(3a,5a,20S)-20-(dimethylamino)pregnan-3-yl]-N-methyl- (9CI) structure](https://ossimg.kuujia.com/scimg/128500/128255-13-0x500.png)
128255-13-0 structure
Product Name:Benzamide, N-[(3a,5a,20S)-20-(dimethylamino)pregnan-3-yl]-N-methyl- (9CI)
CAS No:128255-13-0
MF:C31H48N2O
MW:464.725628852844
CID:209979
Update Time:2024-03-01
Benzamide, N-[(3a,5a,20S)-20-(dimethylamino)pregnan-3-yl]-N-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, N-[(3a,5a,20S)-20-(dimethylamino)pregnan-3-yl]-N-methyl- (9CI)
- (+)-Pachysamine H
- Pachysamine H
- Pregnane,benzamide deriv.
- Benzamide, N-[(3α,5α,20S)-20-(dimethylamino)pregnan-3-yl]-N-methyl-
-
- Inchi： 1S/C31H48N2O/c1-21(32(4)5)26-14-15-27-25-13-12-23-20-24(33(6)29(34)22-10-8-7-9-11-22)16-18-30(23,2)28(25)17-19-31(26,27)3/h7-11,21,23-28H,12-20H2,1-6H3/t21-,23-,24+,25-,26+,27-,28-,30-,31+/m0/s1
- InChI Key： SVKJOAMMICUBIY-XUOIALRLSA-N
- SMILES： C(N([C@H]1C[C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@@H](N(C)C)C)CC3)CC2)C)(=O)C1=CC=CC=C1
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.06±0.1 g/cm3(Predicted)
- Melting Point: 150-153 °C
- Boiling Point: 559.6±23.0 °C(Predicted)
- PSA: 52.54
- pka: 9.61±0.50(Predicted)
Benzamide, N-[(3a,5a,20S)-20-(dimethylamino)pregnan-3-yl]-N-methyl- (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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