Synonym
Oxytocin, deamino-1-carba-; Deamino-1-carbaoxytocin.
IUPAC/Chemical Name
(R)-1-((3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-((R)-sec-butyl)-15-(4-hydroxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl)-N-((R)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide
InChi Key
UBZUWPDBCILNBN-QWBGDHHCSA-N
InChi Code
InChI=1S/C44H67N11O12S/c1-5-24(4)37-43(66)50-27(14-15-33(45)57)39(62)51-30(20-34(46)58)40(63)53-31(22-68-17-7-9-36(60)49-29(41(64)54-37)19-25-10-12-26(56)13-11-25)44(67)55-16-6-8-32(55)42(65)52-28(18-23(2)3)38(61)48-21-35(47)59/h10-13,23-24,27-32,37,56H,5-9,14-22H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,60)(H,50,66)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t24-,27+,28-,29+,30+,31-,32-,37+/m1/s1
SMILES Code
C1SC[C@@H](NC([C@@H](NC([C@@H](NC(=O)[C@@H](NC([C@@H](NC(CC1)=O)Cc1ccc(cc1)O)=O)[C@@H](CC)C)CCC(N)=O)=O)CC(N)=O)=O)C(=O)N1CCC[C@@H]1C(N[C@@H](C(NCC(N)=O)=O)CC(C)C)=O
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
