Nalbuphine Hydrochloride

Modify Date: 2024-01-05 08:58:08

Nalbuphine Hydrochloride Structure
Nalbuphine Hydrochloride structure
Common Name Nalbuphine Hydrochloride
CAS Number 23277-43-2 Molecular Weight 393.90400
Density N/A Boiling Point 566.6ºC at 760 mmHg
Molecular Formula C21H28ClNO4 Melting Point 230.5ºC
MSDS Chinese USA Flash Point 296.5ºC
Symbol GHS02 GHS06 GHS08
GHS02, GHS06, GHS08
Signal Word Danger

 Names

Name nalbuphine hydrochloride
Synonym More Synonyms

 Chemical & Physical Properties

Boiling Point 566.6ºC at 760 mmHg
Melting Point 230.5ºC
Molecular Formula C21H28ClNO4
Molecular Weight 393.90400
Flash Point 296.5ºC
Exact Mass 393.17100
PSA 73.16000
LogP 2.44720
Vapour Pressure 1.12E-13mmHg at 25°C
Storage condition ?20°C
Water Solubility H2O: soluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QD3181000
CHEMICAL NAME :
Morphinan-3,6-alpha,14-triol, 17-(cyclobutylmethyl)-4,5-alpha-epoxy-, hydrochloride
CAS REGISTRY NUMBER :
23277-43-2
LAST UPDATED :
199504
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C21-H27-N-O4.Cl-H
MOLECULAR WEIGHT :
393.95

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
800 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
CHETBF Chest. (American College of Chest Physicians, 911 Busse Hwy, Park Ridge, IL 60068) V.57- 1970- Volume(issue)/page/year: 90,773,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDACAP Medicamentos de Actualidad. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1965- Volume(issue)/page/year: 16,51,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDACAP Medicamentos de Actualidad. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1965- Volume(issue)/page/year: 16,51,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
140 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDACAP Medicamentos de Actualidad. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1965- Volume(issue)/page/year: 16,51,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5314 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 628 (estimated) No. of Female Employees: 314 (estimated)

 Safety Information

Symbol GHS02 GHS06 GHS08
GHS02, GHS06, GHS08
Signal Word Danger
Hazard Statements H225-H301 + H311-H330-H370
Precautionary Statements P210-P260-P280-P284-P301 + P310-P310
Hazard Codes T+: Very toxic;
Risk Phrases 26/27/28
Safety Phrases 22-36/37/39-45
RIDADR UN 1544
RTECS QD3181000
Packaging Group II
Hazard Class 6.1(a)

 Synthetic Route

~86%

Nalbuphine Hydrochloride Structure

Nalbuphine Hydr...

CAS#:23277-43-2

Literature: JOHNSON MATTHEY PUBLIC LIMITED COMPANY; WILSON, George Scott; YOUNG, Maureen Joan Patent: WO2011/21029 A1, 2011 ; Location in patent: Page/Page column 4 ;

~%

Nalbuphine Hydrochloride Structure

Nalbuphine Hydr...

CAS#:23277-43-2

Literature: WO2011/21029 A1, ;

 Precursor & DownStream

Precursor  2

DownStream  0

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 Synonyms

Nalbuphine hydrochloride
17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride hydrate
17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol
Nalbuphine hydrochloride hydrate
(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol,hydrochloride