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Nalbuphine hydrochloride

Nalbuphine hydrochloride structure

CAS No:
23277-43-2
Formula:
C21H27NO4.ClH
Chemical Name:
Nalbuphine hydrochloride
Synonyms:
Morphinan-3,6,14-triol,17-(cyclobutylmethyl)-4,5-epoxy-,hydrochloride (1:1),(5α,6α)-;Morphinan-3,6α,14-triol,17-(cyclobutylmethyl)-4,5α-epoxy-,hydrochloride;Morphinan-3,6,14-triol,17-(cyclobutylmethyl)-4,5-epoxy-,hydrochloride,(5α,6α)-;Nalbuphine hydrochloride;17-(Cyclobutylmethyl)-4,5α-epoxymorphinan-3,6α,14-triol hydrochloride;N-Cyclobutylmethyl-7,8-dihydro-14-hydroxynormorphine hydrochloride;EN 2234A;Nubain;NIH 10274;UM 686;MCV 4385;Nalufin
Categories:
Analytical Chemistry > Standard

Description

Nalbuphine Hydrochloride is the hydrochloride salt form of nalbuphine, a synthetic phenanthrene opioid with opiate agonist and antagonist effects, used to treat moderate to severe pain and provide preoperative and postoperative analgesia and sedation. Nalbuphine hydrochloride binds to kappa-, mu- and delta-opioid receptors but not to sigma-opioid receptors. This opioid exerts its analgesic actions primarily through kappa-opioid-receptor agonism and partially through mu-opioid receptor agonism.|A narcotic used as a pain medication. It appears to be an agonist at KAPPA RECEPTORS and an antagonist or partial agonist at MU RECEPTORS.

Nalbuphine hydrochloride Basic Attributes

Molecular Weight：

393.9

Exact Mass：

393.17100

EC Number：

245-549-9

UNII：

ZU4275277R

DSSTox ID：

DTXSID20177844

NCI Thesaurus Code：

C47629

Characteristics

PSA：

73.2

XLogP3：

2.44720

Appearance：

White to almost white Solid. (crystal(s); crystalline powder)

Melting Point：

230.5ºC

Boiling Point：

566.6ºC at 760 mmHg

Flash Point：

9℃

Water Solubility：

H2O: soluble

Storage Conditions：

-20°C

Vapor Pressure：

1.12E-13mmHg at 25°C

Collision Cross Section：

180.8 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

1544

wgk germany：

hazard class code：

26/27/28-39/23/24/25-23/24/25-11

safety instructions：

22-36/37/39-45-36/37-16

RTECS Number：

QD3181000

Marks：

T+,T,F

Precautionary statement(s)：

P210-P260-P280-P284-P301 + P310-P310

Hazard Statements：

H225-H301 + H311-H330-H370

GHS Classification：

|Danger|H300 (64.41%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P261, P262, P264, P270, P271, P272, P280, P284, P285, P301+P310, P301+P312, P302+P350, P302+P352, P304+P312, P304+P340, P304+P341, P310, P312, P320, P321, P322, P330, P333+P313, P342+P311, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 59 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS. (See all compounds classified as Analgesics, Opioid.)

MeSH Entry Terms：

EN 2234A

Nalbuphine hydrochloride Use and Manufacturing

Uses

Analgesic;Opioid ligand

Use Classification：

Human drugs -> Rare disease (orphan)|Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:393.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:393.1706861
Monoisotopic Mass:393.1706861
Topological Polar Surface Area:73.2
Heavy Atom Count:27
Complexity:597
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes