Nafoxidine

Modify Date: 2024-01-08 10:40:43

Nafoxidine Structure
Nafoxidine structure
 Common Name Nafoxidine
CAS Number 1845-11-0 Molecular Weight 425.56200
Density 1.137g/cm3 Boiling Point 574.5ºC at 760mmHg
Molecular Formula C29H31NO2 Melting Point N/A
MSDS N/A Flash Point 176.7ºC

 Names

Name 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.137g/cm3
Boiling Point 574.5ºC at 760mmHg
Molecular Formula C29H31NO2
Molecular Weight 425.56200
Flash Point 176.7ºC
Exact Mass 425.23500
PSA 21.70000
LogP 6.01300

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY0880000
CHEMICAL NAME :
Pyrrolidine, 1-(2-(p-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthyl)ph enoxy)ethyl)-
CAS REGISTRY NUMBER :
1845-11-0
BEILSTEIN REFERENCE NO. :
1440873
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C29-H31-N-O2
MOLECULAR WEIGHT :
425.61
WISWESSER LINE NOTATION :
L66 BUT&J CR& HO1 BR DO2- AT5NTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 ug/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Reproductive - Tumorigenic effects - uterine tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 ug/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Reproductive - Tumorigenic effects - uterine tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
500 ug/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina Reproductive - Maternal Effects - other effects
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
250 ug/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - menstrual cycle changes or disorders
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
3500 ug/kg
SEX/DURATION :
female 14 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina Reproductive - Maternal Effects - menstrual cycle changes or disorders Reproductive - Maternal Effects - other effects

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 48,14,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4817 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 6 (estimated) No. of Female Employees: 6 (estimated)

 Safety Information

HS Code 2933990090

 Synthetic Route

4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenol structure

4-(6-methoxy-2-...

CAS#:1729-38-0

2-chloroethylpyrrolidine hydrochloride structure

2-chloroethylpy...

CAS#:7250-67-1

~79%

Nafoxidine Structure

Nafoxidine

CAS#:1845-11-0

Literature: Nakata, Kenya; Sano, Yoshiyuki; Shiina, Isamu Molecules, 2010 , vol. 15, # 10 p. 6773 - 6794
1-[2-(4-Bromophenoxy)ethyl]pyrrolidine structure

1-[2-(4-Bromoph...

CAS#:1081-73-8

6-Methoxy-2-phenyltetralone structure

6-Methoxy-2-phe...

CAS#:1769-84-2

~28%

Nafoxidine Structure

Nafoxidine

CAS#:1845-11-0

Literature: LEK PHARMACEUTICALS D.D.; GAZIC SMILOVIC, Ivana; SEECHURN, Carin; COLACOT, Thomas J. Patent: WO2012/159981 A2, 2012 ; Location in patent: Page/Page column 20-21 ;
1-{2-[4-(2-BROMO-6-METHOXY-3,4-DIHYDRO-1-NAPHTHYL)PHENOXY]ETHYL}PYRROLIDINE structure

1-{2-[4-(2-BROM...

CAS#:180915-95-1

Phenylboronic acid structure

Phenylboronic acid

CAS#:98-80-6

~%

Nafoxidine Structure

Nafoxidine

CAS#:1845-11-0

Literature: GLENMARK GENERICS LIMITED; KHAN, Mubeen Ahmed; TRIVEDI, Nikhil Rasiklal; KANDASAMY, Nagan Nirmalan; PATIL, Dayaghan Gangadhar; PANDEY, Vipin Kumar; SINHA, Sukumar Patent: WO2010/125578 A2, 2010 ; Location in patent: Page/Page column 20; 21 ;
1-(2-Chloroethyl)pyrrolidine structure

1-(2-Chloroethy...

CAS#:5050-41-9

4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenol structure

4-(6-methoxy-2-...

CAS#:1729-38-0

~81%

Nafoxidine Structure

Nafoxidine

CAS#:1845-11-0

Literature: Sano, Yoshiyuki; Nakata, Kenya; Otoyama, Takafumi; Umeda, Sei; Shiina, Isamu Chemistry Letters, 2007 , vol. 36, # 1 p. 40 - 41
Pyrrolidine structure

Pyrrolidine

CAS#:123-75-1

N/A structure

N/A

CAS#:1449689-98-8

~85%

Nafoxidine Structure

Nafoxidine

CAS#:1845-11-0

Literature: Walkinshaw, Andrew J.; Xu, Wenshu; Suero, Marcos G.; Gaunt, Matthew J. Journal of the American Chemical Society, 2013 , vol. 135, # 34 p. 12532 - 12535
6-Methoxytetralone structure

6-Methoxytetralone

CAS#:1078-19-9

~%

Nafoxidine Structure

Nafoxidine

CAS#:1845-11-0

Literature: LEK PHARMACEUTICALS D.D.; GAZIC SMILOVIC, Ivana; SEECHURN, Carin; COLACOT, Thomas J. Patent: WO2012/159981 A2, 2012 ;
4-trimethylsilyloxybromobenzene structure

4-trimethylsily...

CAS#:17878-44-3

~%

Nafoxidine Structure

Nafoxidine

CAS#:1845-11-0

Literature: Bindal, Rajeshwar D.; Durani, S.; Kapil, Randhir S.; Anand, Nitya Synthesis, 1982 , # 5 p. 405 - 407
6-Methoxy-2-phenyltetralone structure

6-Methoxy-2-phe...

CAS#:1769-84-2

~%

Nafoxidine Structure

Nafoxidine

CAS#:1845-11-0

Literature: Bindal, Rajeshwar D.; Durani, S.; Kapil, Randhir S.; Anand, Nitya Synthesis, 1982 , # 5 p. 405 - 407

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

Nafoxidine
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