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demoxytocin

demoxytocin structure

CAS No:
113-78-0
Formula:
C43H65N11O12S2
Chemical Name:
demoxytocin
Synonyms:
demoxytocin;Deaminoxytocin;deaminooxytocin;Demossitocina[DCIT];1-(3-Mercaptopropionicacid)oxytocin;1-[4-(2-amino-2-keto-ethyl)-7-(3-amino-3-keto-propyl)-13-(4-hydroxybenzyl)-3,6,9,12,15-pentaketo-10-sec-butyl-18,19-dithia-2,5,8,11,14-pentazacycloicosane-1-carbonyl]-N-[1-[(2-amino-2-keto-ethyl)carbamoyl]-3-methyl-butyl]pyrrolidine-2-carboxamide;N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[4-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-10-butan-2-yl-13-[(4-hydroxyphenyl)methyl]-3
Categories:
Active Pharmaceutical Ingredients > Hormones and the Endocrine System

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demoxytocin Basic Attributes

Molecular Weight：

992.183

Exact Mass：

991.42600

EC Number：

204-034-9

ATC Code：

H - Systemic hormonal preparations, excl. sex hormones and insulins

Characteristics

PSA：

424.11000

XLogP3：

1.91880

Density：

1.263±0.06 g/cm3(Predicted)

Boiling Point：

1518.8±65.0 °C(Predicted)

Flash Point：

872.3ºC

Refractive Index：

1.551

Drug Information

MeSH：

Drugs that stimulate contraction of the myometrium. They are used to induce LABOR, OBSTETRIC at term, to prevent or control postpartum or postabortion hemorrhage, and to assess fetal status in high risk pregnancies. They may also be used alone or with other drugs to induce abortions (ABORTIFACIENTS). Oxytocics used clinically include the neurohypophyseal hormone OXYTOCIN and certain prostaglandins and ergot alkaloids. (From AMA Drug Evaluations, 1994, p1157) (See all compounds classified as Oxytocics.)

MeSH Entry Terms：

1-mercaptopropionateoxytoxin

Computed Properties

Molecular Weight:992.2
XLogP3:-1.8
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:17
Exact Mass:991.42555890
Monoisotopic Mass:991.42555890
Topological Polar Surface Area:424
Heavy Atom Count:68
Complexity:1840
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes