124936-74-9 (2-[3-(二异丙胺基)-1-苯丙基l]-4-甲基苯酚,2-3-Bis(1-methylethyl)amino-1-phenylpropy-4-methylphenylmonohydrobromide)

CAS号:
124936-74-9
中文名称:
2-[3-(二异丙胺基)-1-苯丙基l]-4-甲基苯酚
英文名称:
2-3-Bis(1-methylethyl)amino-1-phenylpropy-4-methylphenylmonohydrobromide
分子式:
C22H31NO
分子量:
325.487646341324

2-[3-(二异丙胺基)-1-苯丙基l]-4-甲基苯酚(124936-74-9)名称与标识符

名称

中文别名:
2-[3-(二异丙胺基)-1-苯丙基l]-4-甲基苯酚;氢溴酸托特罗定;2-[3-[ 双 (1 甲基乙基-) 氨基 ]-1-苯基丙基 ]-4-甲基苯酚 溴氢酸盐;2-{3-[双(1-甲基乙基)氨基]-1-苯基丙基}-4-甲基苯酚氢溴酸盐;酒石酸托特罗定;托特罗定酒石酸盐;2-[3-[双(1甲基乙基-)氨基]-1-苯基丙基]-4-甲基苯酚氢溴酸盐[氢溴酸托特罗定];酒石酸托特罗定/2-{3-[双(1-甲基乙基)氨基]-1-苯基丙基}-4-甲基苯酚氢溴酸盐;2-[3-[ 双 (1 甲基乙基 -) 氨基 ]-1- 苯基丙基 ]-4- 甲基苯酚 溴氢酸盐;
英文别名:
2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol;2-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol;2-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol monohydrobromide;N,N-DIISOPROPYL-3-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYL PROPYL AMINE ( FOR TOLTERODINE-L-TARTRATE );(R)-2,3-BIS(1-METHYLETHYL)AMINO-1-PHENYLPROPYL-4-METHYLPHENOL;(R,S)-to;2-[(1S)-3-[bis(propan-2-yl)aMino]-1-phenylpropyl]-4-Methylphenol;2-[3-[BIS(1-METHYLETHYL)AMINO]-1-PHENYLPROPY]-4-METHYLPHENYLMONOHYDROBROMIDE(TOLTERODINE);2-[3-BIS(1-METHYLETHYL)AMINO]-1-PHENYLPROPYL]-4-METHYLPHENOL HBR;N,N-diiso-propyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamine;rac-tolterodine;RS-N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropylamine;N,N-Diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamine;N,N-Diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropylamine;N,N-Diisopropyl-N-[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]amine;Racemictolterodine;TOLTERODINE HYDROBROMIC ACID SALT;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol;2-(3-(Bis(1-methylethyl)amino)-1-phenylpropyl)-4-methylphenylmonohydrobromide;2-[3-[BIS(1-METHYLETHYL)AMINO]-1-PHENYLPROPY]-4-METHYLPHENYL MONOHYDROBROMIDE;KBioSS_002114;BCP11956;OOGJQPCLVADCPB-UHFFFAOYSA-N;KBio2_007250;Spectrum2_000526;SPBio_000511;(R)-(+)-Tolterodine;(+)-Tolterodine;(R)-Tolterodine;PNU-200583;SB83213;KBio2_002114;KBio3_001945;N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl amine;Spectrum_001634;3-(2-hydroxy-5-methylphenyl)-N,N-diisopropyl-3-phenylpropylamine;(R)-(+)-Tolterodine; (+)-Tolterodine; (R)-Tolterodine; PNU-200583;PHA-686464B;Tolterodina;2-{3-[Di(propan-2-yl)amino]-1-phenylpropyl}-4-methylphenol;Spectrum5_001502;Tolterodine (racemate);2-{3-[bis(propan-2-yl)amino]-1-phenylpropyl}-4-methylphenol;Phenol, 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-;KBio2_004682;BCP24952;SCHEMBL580446;(R)-(+)-Tolterodine;124936-74-9;FT-0675276;2-[3-(Diisopropylamino)-1-phenylpropyl]-4-methylphenol;SBI-0206790.P001;FT-0602008;NCGC00178506-01;AKOS016002007;CHEMBL319757;PNU-200583 racemate; PNU 200583 racemate; PNU200583 racemate; (+/-)-Tolterodine; Racemic tolterodine;FT-0602571;HMS3373N19;2,3-BIS(1-METHYLETHYL)AMINO-1-PHENYLPROPYL-4-METHYLPHENOL;Spectrum3_001003;C22H31NO;Spectrum4_001131;BSPBio_002725;KBioGR_001641;DTXSID70861286;J-005183;L000756;EN300-296206;N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenyl propyl amine;

标识符

MDL:
MFCD00883971
InChIKey:
OOGJQPCLVADCPB-UHFFFAOYSA-N
Inchi:
1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3
SMILES:
OC1=CC=C(C)C=C1C(C1C=CC=CC=1)CCN(C(C)C)C(C)C

2-[3-(二异丙胺基)-1-苯丙基l]-4-甲基苯酚(124936-74-9)物化性质

实验特性

  • LogP : 5.34140
  • PSA : 23.47000
  • 沸点 : 473 °C at 760 mmHg
  • 闪点 : 239.9 °C

计算特性

  • 精确分子量 : 325.24100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 7
  • 同位素质量 : 325.240564612g/mol
  • 重原子数量 : 24
  • 复杂度 : 340
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 5.6
  • 拓扑分子极性表面积 : 23.5Ų

2-[3-(二异丙胺基)-1-苯丙基l]-4-甲基苯酚(124936-74-9)海关数据

海关编码:
2922299090
海关数据:

中国海关编码:

2922299090

概述:

2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

Summary:

2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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