主记录
TH1834 dihydrochloride
- CAS
- 2108830-09-5
- PubChem CID
- 91826511
- SMILES
- C1CCN(C1)CC2=CC=C(C=C2)OCCCCN(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C5=NN(N=N5)CC(=O)O.Cl.Cl
- 分子式
- C33H42Cl2N6O3
- 分子量
- 641.644
- 精确分子量
- 640.2695
- InChI
- InChI=1S/C33H40N6O3.2ClH/c40-32(41)26-39-35-33(34-36-39)30-14-10-28(11-15-30)25-38(22-18-27-8-2-1-3-9-27)21-6-7-23-42-31-16-12-29(13-17-31)24-37-19-4-5-20-37;;/h1-3,8-17H,4-7,18-26H2,(H,40,41);2*1H
- InChIKey
- HYXIFSOROZPMMU-UHFFFAOYSA-N
- LogP
- 5.768
- TPSA
- 96.61
名称与别名
- TH1834 dihydrochloride
- TH1834 (dihydrochloride)
- 2108830-09-5
- TH1834
- TH1834 HCl
- TH 1834
- orb1706544
- CHEMBL5724717
- SCHEMBL29420159
- EX-A6157
- AKOS040742725
- HY-123604A
- DA-78375
- MS-30921
- CS-0087873
- E99056
- A1017906
- N0001-013245
- 2-[5-[4-[[2-phenylethyl-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]butyl]amino]methyl]phenyl]tetrazol-2-yl]acetic acid;dihydrochloride
- 2-(5-(4-((phenethyl(4-(4-(pyrrolidin-1-ylmethyl)phenoxy)butyl)amino)methyl)phenyl)-2H-tetrazol-2-yl)acetic acid dihydrochloride