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Name	Ergotamine tartrate	EINECS	206-835-9
CAS No.	379-79-3	Density	N/A
PSA	N/A	LogP	N/A
Solubility	Insoluble in water	Melting Point	~195 °C (dec.)(lit.)
Formula	C₇₀H₇₆N₁₀O₁₆	Boiling Point	914.5 °C at 760 mmHg
Molecular Weight	1313.41	Flash Point	506.9 °C
Transport Information	UN 1544 6.1/PG 1	Appearance	White solid
Safety	36/37-45	Risk Codes	23/24/25-62-63
Molecular Structure		Hazard Symbols	T
Synonyms	Ergotamine, bitartrate;Ergotaminum [INN-Latin];Cornutamin;Secupan;Ergotaman-3,6,18-trione, 12-hydroxy-2-methyl-5- (phenylmethyl)-, (5.alpha.)-, [R-(R, R)]-2,3-dihydroxybutanedioate (2:1) (salt);Ergomar;Rigetamin;Exmigra;Ergomar (TN);Gynergen;Ergotaman-3,6,18-trione, 12-hydroxy-2-methyl-5-(phenylmethyl)-, (5alpha)-;Lingraine;Ergotamine D-tartrate;Ergam;Ergotamina [INN-Spanish];Ergotamine, tartrate (2:1);

Ergotamine tartrate Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program. EPA Extremely Hazardous Substances List.

Ergotamine tartrate Specification

The systematic name of Ergotamine tartrate is (5'α)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman 2,3-dihydroxybutanedioate (2:1). With the CAS registry number 379-79-3, it is also named as Medihaler ergotamine. The product's classification codes are Analgesic [specific in migraine]; Drug / Therapeutic Agent; Human Data; Mutation data; Reproductive Effect, and the other registry number is 98260-31-2. Besides, it is powder or liquid forms available as drugs, which is used in the treatment of migraine headaches. This chemical is insoluble in water, which is stored at 2-8°C. In addition, its molecular formula is C₇₀H₇₆N₁₀O₁₆ and molecular weight is 1313.40984.

The other characteristics of Ergotamine tartrate can be summarized as: (1)H-Bond Donor: 10; (2)H-Bond Acceptor: 18; (3)Rotatable Bond Count: 11; (4)Tautomer Count: 36; (5)Exact Mass: 1312.544076; (6)MonoIsotopic Mass: 1312.544076; (7)Topological Polar Surface Area: 352; (8)Heavy Atom Count: 96; (9)Formal Charge: 0; (10)Complexity: 1350; (11)Melting Point: ~195 °C; (12)EINECS: 206-835-9.

When you are using this chemical, please be cautious about it as the following: it is toxic by inhalation, in contact with skin and if swallowed. It is also risk of impaired fertility. What's more, it is possible risk of harm to the unborn child. You should wear suitable protective clothing and gloves. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C.C(C(C(=O)O)O)(C(=O)O)O
(2)InChI: InChI=1/2C33H35N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,25-,26+,27+,32-,33+;/m11./s1
(3)InChIKey: CJMJLDQKTOJACI-SEUSHGJOBE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	subcutaneous	11mg/kg (11mg/kg)		Bulletin der Schweizerischen Akademie der Medizinischen Wissenschaften. Vol. 2, Pg. 1, 1946/1947.
human	TDLo	oral	3700ug/kg/26W (3.7mg/kg)	BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: NAUSEA OR VOMITING	Headache. Vol. 18, Pg. 95, 1978.
man	TDLo	oral	214ug/kg (0.214mg/kg)	BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Muenchener Medicinische Wochenschrift. Vol. 75, Pg. 736, 1928.
mouse	LD50	intraperitoneal	412mg/kg (412mg/kg)		British UK Patent Application. Vol. #2025960,
mouse	LD50	intravenous	62mg/kg (62mg/kg)		Bulletin der Schweizerischen Akademie der Medizinischen Wissenschaften. Vol. 2, Pg. 1, 1946/1947.
mouse	LDLo	oral	300mg/kg (300mg/kg)		Teratology, The International Journal of Abnormal Development. Vol. 7, Pg. 227, 1973.
rabbit	LDLo	oral	1mg/kg (1mg/kg)		Teratology, The International Journal of Abnormal Development. Vol. 7, Pg. 227, 1973.
rat	LD50	intravenous	80mg/kg (80mg/kg)		Bulletin der Schweizerischen Akademie der Medizinischen Wissenschaften. Vol. 2, Pg. 1, 1946/1947.
rat	LDLo	oral	1mg/kg (1mg/kg)		Teratology, The International Journal of Abnormal Development. Vol. 7, Pg. 227, 1973.
women	TDLo	oral	700ug/kg/14D- (0.7mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD VASCULAR: REGIONAL OR GENERAL ARTERIOLAR CONSTRICTION	British Journal of Clinical Practice. Vol. 49, Pg. 214, 1995.
women	TDLo	oral	11mg/kg/13W-I (11mg/kg)	VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION	Postgraduate Medical Journal. Vol. 61, Pg. 461, 1985.