Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Dicarbaoxytocin
RN: 4294-09-1
InChIKey: JLEPSDCBZXQFSL-SHEQQOOASA-N

Note

  • Analog of oxytocin with uterotonic and slight rat pressor activity in the rat.

Molecular Formula

  • C45-H70-N12-O12

Molecular Weight

  • 971.12
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Dicarbaoxytocin

Synonym

  • Oxytocin, 1,6-dicarba-

Systematic Names

  • (1,6alpha,alpha'-Diaminosuberic acid)oxytocin
  • 1,6-Dicarbaoxytocin

Registry Numbers

CAS Registry Number

  • 4294-09-1

System Generated Number

  • 0004294091

Structure Descriptors

InChI

1S/C45H70N12O12/c1-5-24(4)37-44(68)51-28(16-17-34(47)59)40(64)54-32(21-35(48)60)41(65)52-29(10-7-6-9-27(46)38(62)53-31(42(66)56-37)20-25-12-14-26(58)15-13-25)45(69)57-18-8-11-33(57)43(67)55-30(19-23(2)3)39(63)50-22-36(49)61/h12-15,23-24,27-33,37,58H,5-11,16-22,46H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,63)(H,51,68)(H,52,65)(H,53,62)(H,54,64)(H,55,67)(H,56,66)/t24-,27-,28-,29-,30-,31-,32-,33-,37?/m0/s1

InChIKey

JLEPSDCBZXQFSL-SHEQQOOASA-N

Smiles

C1N([C@@H](CC1)C(N[C@H](C(NCC(N)=O)=O)CC(C)C)=O)C(=O)[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)N)NC([C@@H](NC([C@@H](NC([C@H](CCCC1)N)=O)Cc1ccc(cc1)O)=O)[C@H](CC)C)=O