Vasotocin
Properties
- Molecular formula
- C43H67N15O12S2
- Molar mass
- 1050.22 g/mol
- Exact mass
- 1049.4535 Da
- logP
- -5.60Crippen estimate
- Polar surface area
- 463.9 Ų
- H-bond donors / acceptors
- 14 / 16
- Rotatable bonds
- 19
- Stereocentres
- S, S, S, S, R, R, S, S, Sin SMILES atom order
Hazards
Warning
- H361 Suspected of damaging fertility or the unborn child100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P280, P318, P405, P501
Identifiers
CAS number
9034-50-8SMILES
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)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)NInChIKey
OXDZADMCOWPSOC-BQGUCLBMSA-NInChI
InChI=1S/C43H67N15O12S2/c1-3-21(2)34-41(69)53-26(12-13-31(45)60)37(65)55-28(17-32(46)61)38(66)56-29(20-72-71-19-24(44)35(63)54-27(39(67)57-34)16-22-8-10-23(59)11-9-22)42(70)58-15-5-7-30(58)40(68)52-25(6-4-14-50-43(48)49)36(64)51-18-33(47)62/h8-11,21,24-30,34,59H,3-7,12-20,44H2,1-2H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,64)(H,52,68)(H,53,69)(H,54,63)(H,55,65)(H,56,66)(H,57,67)(H4,48,49,50)/t21-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Beta-hypophamine
Work with Vasotocin
Similar compounds
Oxytocin50-56-685 % similar
Argipressine113-79-183 % similar
Ornipressin3397-23-771 % similar
Desmopressin16679-58-671 % similar
Lypressin50-57-770 % similar
Felypressin56-59-763 % similar
Carbetocin37025-55-162 % similar
Atosiban90779-69-460 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.