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Substance Name: Calcitonin [USAN:INN:BAN:JAN]
RN: 47931-85-1
UNII: 7SFC6U2VI5
InChIKey: BBBFJLBPOGFECG-VJVYQDLKSA-N

Classification Codes

  • Bone Density Conservation Agents
  • Calcium-Regulating Hormones and Agents
  • Drug / Therapeutic Agent
  • Regulator (Calcium)

Molecular Formula

  • C145-H240-N44-O48-S2

Molecular Weight

  • 3431.883
 
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Names and Synonyms

Name of Substance

  • Calcitonin [USAN:INN:BAN:JAN]
  • Salmon calcitonin

Synonyms

  • Astronin
  • Biocalcin
  • Bionocalcin
  • Cadens
  • Calciben
  • Calcihexal
  • Calcimar
  • Calcimonta
  • Calcinil
  • Calcioton
  • Calcitonin
  • Calcitonin salmon
  • Calcitonin vom lachs
  • Calcitonin, salmar
  • Calcitonin, salmon, for bioassay
  • Calcitonin,salmon
  • Calcitonin-salmon
  • Calcitonina
  • Calcitonine de saumon
  • Calcitoran
  • Calco
  • Calogen
  • Calsynar
  • Calsynar Lyo L
  • Caltine
  • Casalm
  • Catonin
  • Cibacalcin
  • Cibacalcine
  • Citonina
  • EINECS 256-342-8
  • Eptacalcin
  • Ipocalcin
  • Isi-calcin
  • Kalsimin
  • Karil
  • Miacalcin
  • Miracalcic
  • Oseototal
  • Osseocalcina
  • Osteobion
  • Osteovis
  • Ostora
  • Ostosalm
  • Ostostabil
  • Porostenina
  • Prontocalcin
  • Quosten
  • Riostin
  • Rulicalcin
  • Salcat
  • Salcatonin
  • Salcatyn
  • Salmocalcin
  • Salmofar
  • Salmon calcitonin
  • Salmon calcitonin I
  • Salmon calcitonin-(I-32)
  • Sical
  • Stalcin
  • Staporos
  • Steocin
  • Thyrocalcitonin (salmon)
  • Tonocalcin
  • TZ-CT
  • Ucecal
  • UNII-7SFC6U2VI5

Systematic Name

  • Calcitonin (salmon)

Mixture Name

  • Fortical

Registry Numbers

CAS Registry Number

  • 47931-85-1

FDA UNII

  • 7SFC6U2VI5

System Generated Number

  • 0047931851

Structure Descriptors

InChI

InChI=1S/C145H240N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99-63-239-238-62-79(148)117(210)178-96(59-191)134(227)174-92(52-104(151)202)131(224)172-90(49-69(9)10)129(222)180-98(61-193)135(228)187-114(74(16)197)142(235)181-99)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)/t71-,72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,110+,111+,112+,113+,114+,115+/m1/s1

InChIKey

BBBFJLBPOGFECG-VJVYQDLKSA-N

Smiles

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intramuscular > 1600iu/kg (1600iu/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: FOOD INTAKE (ANIMAL)		 Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 1053, 1986.
monkey LD50 intravenous > 320iu/kg (320iu/kg)   Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 1053, 1986.
mouse LD50 intramuscular > 72800ug/kg (72.8mg/kg)   Drugs in Japan Vol. -, Pg. 273, 1990.
mouse LD50 intravenous > 72800ug/kg (72.8mg/kg)   Drugs in Japan Vol. -, Pg. 273, 1990.
mouse LD50 oral > 72800ug/kg (72.8mg/kg)   Drugs in Japan Vol. -, Pg. 273, 1990.
mouse LD50 subcutaneous > 72800ug/kg (72.8mg/kg)   Drugs in Japan Vol. -, Pg. 273, 1990.
rabbit LD50 intramuscular > 500iu/kg (500iu/kg)   Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 1053, 1986.
rat LD50 intramuscular > 72800ug/kg (72.8mg/kg)   Drugs in Japan Vol. -, Pg. 273, 1990.
rat LD50 intravenous > 72800ug/kg (72.8mg/kg)   Drugs in Japan Vol. -, Pg. 273, 1990.
rat LD50 oral > 72800ug/kg (72.8mg/kg)   Drugs in Japan Vol. -, Pg. 273, 1990.
rat LD50 subcutaneous > 72800ug/kg (72.8mg/kg)   Drugs in Japan Vol. -, Pg. 273, 1990.