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carbetocin (Q5037853)

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chemical compound

1-butyric acid-2-(3-(p-methoxyphenyl)-L-alanine)oxytocin
deamino-2-O-methyltyrosine-1-carbaoxytocin
1-butanoic acid-2-(O-methyl-L-tyrosine)-1-carbaoxytocin
1-Butanoic acid-2-(O-methyl-L-tyrosine)-1-carbaoxytocin
Carbetocinum
1-Butyric acid-2-(3-(P-methoxyphenyl)-L-alanine)oxytocin
Deamino-2-O-methyltyrosine-1-carbaoxytocin
Carbetocin
Carbetocino

Language	Label	Description	Also known as
English	carbetocin	chemical compound	1-butyric acid-2-(3-(p-methoxyphenyl)-L-alanine)oxytocin deamino-2-O-methyltyrosine-1-carbaoxytocin 1-butanoic acid-2-(O-methyl-L-tyrosine)-1-carbaoxytocin 1-Butanoic acid-2-(O-methyl-L-tyrosine)-1-carbaoxytocin Carbetocinum 1-Butyric acid-2-(3-(P-methoxyphenyl)-L-alanine)oxytocin Deamino-2-O-methyltyrosine-1-carbaoxytocin Carbetocin Carbetocino

Statements

type of chemical entity

0 references

synthetic peptide

0 references

1 reference

Carbetocin (English)

language of work or name

publication date

17 November 2015

987.484788 dalton

1 reference

language of work or name

Carbetocin (English)

4 October 2016

chemical formula

C₄₅H₆₉N₁₁O₁₂S

1 reference

language of work or name

Carbetocino (English)

19 November 2016

canonical SMILES

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSCCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OC)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N

1 reference

language of work or name

Carbetocino (English)

19 November 2016

isomeric SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCCCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N

1 reference

language of work or name

Carbetocino (English)

19 November 2016

defined daily dose

0.1 milligram

route of administration

parenteral route of administration

1 reference

https://www.whocc.no/atc_ddd_index/?code=H01BB03

World Health Organisation international non-proprietary name

carbetocin (English)

1 reference

language of work or name

carbetocin (English)

4 October 2016

subject has role

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

Identifiers

InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1

1 reference

language of work or name

Carbetocino (English)

19 November 2016

NSTRIRCPWQHTIA-DTRKZRJBSA-N

2 references

language of work or name

Carbetocino (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

1 reference

Global Substance Registration System

language of work or name

carbetocin (English)

19 November 2016

1 reference

language of work or name

Carbetocin (English)

19 November 2016

2 references

language of work or name

Carbetocino (English)

19 November 2016

matched by identifier from

NSTRIRCPWQHTIA-DTRKZRJBSA-N

Reaxys registry number

9985308

1 reference

language of work or name

carbetocin (English)

4 October 2016

mapping relation type

2 references

language of work or name

CARBETOCIN (English)

19 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1

1 reference

language of work or name

CARBETOCIN (English)

19 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

NSTRIRCPWQHTIA-DTRKZRJBSA-N

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

NSTRIRCPWQHTIA-DTRKZRJBSA-N

DSSTOX compound identifier

DTXCID901326882

0 references

1 reference

Global Substance Registration System

language of work or name

carbetocin (English)

19 November 2016

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Carbetocin (English)

CAS no.: 37025-55-1 (English)

1 reference

language of work or name

Carbetocin (English)

publication date

17 November 2015

Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

1 reference

matched by identifier from

NSTRIRCPWQHTIA-DTRKZRJBSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

NSTRIRCPWQHTIA-DTRKZRJBSA-N

2 references

Global Substance Registration System

language of work or name

carbetocin (English)

19 November 2016

matched by identifier from

NSTRIRCPWQHTIA-DTRKZRJBSA-N

Probes And Drugs ID

0 references

1 reference

1 reference

language of work or name

carbetocin (English)

4 October 2016

1 reference

language of work or name

carbetocin (English)

4 October 2016

electronic Essential Medicines List medicine ID

0 references

0 references

Microsoft Academic ID

0 references

WikiProjectMed ID

0 references

WikiSkripta article ID

0 references

Sitelinks

Wikipedia(11 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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