109882-25-9

109882-25-9 structure

Name: Methyl 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2- yl}butanoate
Chemical Name: Methyl 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2- yl}butanoate
CAS Number: 109882-25-9
Molecular Formula: C₁₇H₂₃Cl₂N₃O₂
Molecular Weight: 372.28900
Create Date: 2018-12-27 14:19:25
Modify Date: 2024-01-03 10:57:12

Name	Methyl 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2- yl}butanoate
Synonyms	Methylhydroxy-Celecoxib PRIMARY ALCOHOL METABOLITE OF CELECOXIB bendamustine methyl ester 4'-Hydroxycelecoxib Hydroxy Celecoxib Celecoxib metabolite M3

Molecular Formula	C₁₇H₂₃Cl₂N₃O₂
Molecular Weight	372.28900
Exact Mass	371.11700
PSA	47.36000
LogP	3.35300

1221157-11-4

79-11-8

~99%

109882-25-9

Literature: CEPHALON, INC.; CHEN, Jian; PRZYUSKI, Katrin; ROEMMELE, Renee, Caroline Patent: WO2010/42568 A1, 2010 ; Location in patent: Page/Page column 19-20 ;

67-56-1

3543-75-7

~91%

109882-25-9

Literature: CEPHALON, INC.; BAKALE, Roger, P.; BROWN, Peter, D.; CHEN, Jian; DRAGER, Anthony, S.; LABELL, Rachel, Y.; MCKEAN, Robert, E.; PATEL, Piyush, R.; ROEMMELE, Renee, C. Patent: WO2014/75035 A1, 2014 ; Location in patent: Page/Page column 15 ;

109882-31-7

109882-25-9

Literature: Arevipharma GmbH; Schickaneder, Helmut; Schickaneder, Christian; Limmert, Michael Patent: US2013/184471 A1, 2013 ; Location in patent: Paragraph 0146; 0147; 0148; 0149; 0150 ;

1221157-09-0

109882-25-9

Literature: Chen, Jian; Przyuski, Katrin; Roemmele, Renee; Bakale, Roger P. Organic Process Research and Development, 2011 , vol. 15, # 5 p. 1063 - 1072

1221157-10-3

109882-25-9

Literature: Chen, Jian; Przyuski, Katrin; Roemmele, Renee; Bakale, Roger P. Organic Process Research and Development, 2011 , vol. 15, # 5 p. 1063 - 1072

1501-26-4

109882-25-9

Literature: Chen, Jian; Przyuski, Katrin; Roemmele, Renee; Bakale, Roger P. Organic Process Research and Development, 2011 , vol. 15, # 5 p. 1063 - 1072

97-02-9

109882-25-9

Literature: Chen, Jian; Przyuski, Katrin; Roemmele, Renee; Bakale, Roger P. Organic Process Research and Development, 2011 , vol. 15, # 5 p. 1063 - 1072

3543-75-7

109882-25-9

Literature: Werner; Letsch; Ihn Pharmazie, 1987 , vol. 42, # 4 p. 272 - 273

186581-53-3

16506-27-7

109882-25-9

Literature: Werner; Letsch; Ihn Pharmazie, 1987 , vol. 42, # 4 p. 272 - 273

Precursor 10
1221157-11-4 79-11-8 67-56-1 3543-75-7
109882-31-7 1221157-09-0 1221157-10-3 1501-26-4
97-02-9 186581-53-3
DownStream 1
3543-75-7

56-41-7	108-65-6
56-35-9	64-17-5
67-56-1	108-88-3
141-78-6	1310-73-2
13463-67-7	1333-86-4