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6989-98-6

6989-98-6 structure
6989-98-6 structure
  • Name: (+)-TUBOCURARINE CHLORIDE PENTAHYDRATE
  • Chemical Name: Tubocurarine Chloride Pentahydrate
  • CAS Number: 6989-98-6
  • Molecular Formula: C37H52Cl2N2O11
  • Molecular Weight: 771.72200
  • Catalog: Natural product Alkaloid
  • Create Date: 2018-04-28 08:00:00
  • Modify Date: 2025-08-25 12:39:17
  • D-Tubocurarine chloride pentahydrate is the chloride salt form of Tubocurarine, a nicotinic acetylcholine receptors (AChR) antagonist, and can be used as a skeletal muscle relaxant during surgery or mechanical ventilation. D-Tubocurarine chloride pentahydrate is also a potent neuromuscular blocking agent[1][2][3].
Name Tubocurarine Chloride Pentahydrate
Synonyms MFCD00150157
(+)-tubocurarine chloride pentahydrate
Description D-Tubocurarine chloride pentahydrate is the chloride salt form of Tubocurarine, a nicotinic acetylcholine receptors (AChR) antagonist, and can be used as a skeletal muscle relaxant during surgery or mechanical ventilation. D-Tubocurarine chloride pentahydrate is also a potent neuromuscular blocking agent[1][2][3].
Related Catalog
In Vitro Treatment of Caco-2 cells with the AChR antagonist Tubocurarine (10 µM) induces a disorganization of adherents junctions. Buffalo milk-derived products (MBCP) (18 µM) attenuates Tubocurarine AChR antagonist effects on Caco-2 cells adherens junctions[1].
References

[1]. Tenore GC, et al. Intestinal Anti-Inflammatory Effect of a Peptide Derived from Gastrointestinal Digestion of Buffalo (Bubalus bubalis) Mozzarella Cheese. Nutrients. 2019 Mar 13;11(3). pii: E610.

[2]. Min CH, et al. The comparative effects of aminoglycoside antibiotics and muscle relaxants on electrical field stimulation response in rat bladder smooth muscle. Arch Pharm Res. 2016 Jun;39(6):863-70.

[3]. P. W. Codding, et al. The crystal and molecular structure of a potent neuromuscular blocking agent: d-tubocurarine dichloride pentahydrate. Acta Cryst. (1973). B29, 935.
Density 1.2074 (rough estimate)
Melting Point 275-280ºC (dec.)(lit.)
Molecular Formula C37H52Cl2N2O11
Molecular Weight 771.72200
Exact Mass 770.29500
PSA 126.77000
LogP 4.08220
Index of Refraction 193 ° (C=1, H2O)
Storage condition 2-8°C
Water Solubility H2O: soluble50 mg/ml, with heating as required, clear to slightly hazy, colorless to yellow | Soluble in water to 50mg/ml, with warming as needed. Also soluble in ethanol or methanol

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YO5100000
CHEMICAL NAME :
Tubocurarine, dichloride, pentahydrate, (+)-
CAS REGISTRY NUMBER :
6989-98-6
LAST UPDATED :
199009
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C37-H41-N2-O6.Cl-H.Cl.5H2-O
MOLECULAR WEIGHT :
771.81
WISWESSER LINE NOTATION :
T D6 I6 I-6 R6-18-66 D- D-- I-- R- 2AI- H& CO JK QO B&K&T&&TT&J J1 J1 OO1 SQ B&1 B&1 G&O1 H&Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
150 ug/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,109,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
270 ug/kg
TOXIC EFFECTS :
Vascular - BP lowering not characterized in autonomic section
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 97,19,1949
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 118,395,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
421 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 2,558,1960
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 100,333,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
130 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 118,388,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 118,395,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
400 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 118,395,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
146 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 118,395,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
5280 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 2,558,1960
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
840 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 2,558,1960
Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H301
Precautionary Statements P301 + P310
Personal Protective Equipment Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes T
Risk Phrases R25
Safety Phrases S22;S45;S36/S37/S39
RIDADR UN 1544 6.1/PG 3
WGK Germany 3
RTECS YO5100000
Packaging Group III
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