Oxytocin/ergometrine (Q7116181)

Syntometrine (English)

retrieved

21 September 2016

isomeric SMILES

CC[C@H](C)C1C(=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)CC2=CC=C(C=C2)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.C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=C\C(=O)O)\C(=O)O

1 reference

InChI=1S/C43H66N12O12S2.C19H23N3O2.C4H4O4/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;1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;5-3(6)1-2-4(7)8/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);3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;;2-1-/t22-,25-,26-,27-,28-,29-,30-,31-,35?;11-,13+,17+;/m00./s1

Syntometrine (English)

21 September 2016

1 reference

Medical Subject Headings

MeSH descriptor ID

C038346

retrieved

15 March 2018

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

CEDGTLOSFDBJKR-KVXRPJDVSA-N

1 reference

imported from Wikimedia project

Syntometrine (English)

retrieved

21 September 2016

CAS Registry Number

37209-62-4

1 reference

1 reference

(6aR,9R)-N-[(1S)-2-hydroxy-1-methyl-ethyl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)- (English)

21 September 2016

1 reference