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Substance Name: Oxytocin [USP:INN:BAN:JAN]
RN: 50-56-6
UNII: 1JQS135EYN
InChIKey: XNOPRXBHLZRZKH-DSZYJQQASA-N

Note

  • A nonapeptide hormone released from the neurohypophysis (PITUITARY GLAND, POSTERIOR). It differs from VASOPRESSIN by two amino acids at residues 3 and 8. Oxytocin acts on smooth muscle cells, such as causing UTERINE CONTRACTIONS and MILK EJECTION.

Molecular Formula

  • C43-H66-N12-O12-S2

Molecular Weight

  • 1007.1984
 

Classification Codes

  • Drug / Therapeutic Agent
  • Hormone
  • Human Data
  • Oxytocic
  • Oxytocics
  • Reproductive Control Agents
  • Reproductive Effect

Names and Synonyms

Name of Substance

  • Oxytocin
  • Oxytocin [USP:INN:BAN:JAN]

MeSH Heading

  • Oxytocin

Synonyms

  • (1-Hemicystine)oxytocin
  • 3-Isoleucine-8-leucine vasopressin
  • alpha-Hypophamine
  • Atonin O
  • BRN 3586108
  • Di-sipidin
  • EINECS 200-048-4
  • Endopituitrina
  • HSDB 2182
  • L-Cysteinyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-leucylglycinamide cyclic (1-6)-disulfide
  • Nobitocin S
  • Ocytocin
  • Ocytocinum
  • Orasthin
  • Ossitocina
  • Ossitocina [DCIT]
  • Oxetakain
  • Oxetakain [Czech]
  • Oxitocina
  • Oxitocina [INN-Spanish]
  • Oxoject
  • Oxystin
  • Oxytocin
  • Oxytocin 10 USP units in dextrose 5%
  • Oxytocin 20 USP units in dextrose 5%
  • Oxytocin 5 USP units in dextrose 5%
  • Oxytocine
  • Oxytocine [INN-French]
  • Oxytocinum
  • Oxytocinum [INN-Latin]
  • Partocon
  • Pitocin
  • Piton S
  • Posterior pituitary extract
  • Presoxin
  • Synpitan
  • Synthetic oxytocin
  • Syntocin
  • Syntocinon
  • Syntocinone
  • UNII-1JQS135EYN
  • Utedrin
  • Uteracon
  • Vasopressin, 3-L-isoleucine-8-L-leucine-

Systematic Name

  • Oxytocin

Registry Numbers

CAS Registry Number

  • 50-56-6

FDA UNII

  • 1JQS135EYN

System Generated Number

  • 0000050566

Structure Descriptors

InChI

1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1

InChIKey

XNOPRXBHLZRZKH-DSZYJQQASA-N

Smiles

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5800ug/kg (5.8mg/kg)   Drugs in Japan Vol. 6, Pg. 151, 1982.
mouse LD50 oral > 514mg/kg (514mg/kg)   Drugs in Japan Vol. -, Pg. 230, 1990.
mouse LD50 subcutaneous > 514mg/kg (514mg/kg)   Drugs in Japan Vol. -, Pg. 230, 1990.
rat LD50 intravenous 2275ug/kg (2.275mg/kg)   Drugs in Japan Vol. -, Pg. 230, 1990.
rat LD50 oral > 20520ug/kg (20.52mg/kg)   Drugs in Japan Vol. -, Pg. 230, 1990.
rat LD50 subcutaneous > 20520ug/kg (20.52mg/kg)   Drugs in Japan Vol. -, Pg. 230, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -6.270 (none)   EST
Atmospheric OH Rate Constant 5.33E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.