Synonym
Debotansine; Debotansina; Debotansinum;
IUPAC/Chemical Name
(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl (S)-28-(3-ethyl-3,9-dihydro-8H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-8-yl)-2,3,9-trimethyl-4,8,24,28-tetraoxo-12,15,18,21-tetraoxa-3,9,25-triazaoctacosanoate
InChi Key
BSJSKPDBAKVCEU-GIFSSBJDSA-N
InChi Code
InChI=1S/C69H92ClN9O17/c1-11-79-64-50-21-14-15-22-51(50)78(43-48-19-12-13-20-49(48)63(64)73-74-79)60(83)26-28-71-57(80)27-30-90-32-34-92-36-37-93-35-33-91-31-29-75(6)58(81)24-17-25-59(82)76(7)46(4)66(85)95-56-41-61(84)77(8)52-39-47(40-53(88-9)62(52)70)38-44(2)18-16-23-55(89-10)69(87)42-54(94-67(86)72-69)45(3)65-68(56,5)96-65/h12-16,18-23,39-40,45-46,54-56,65,87H,11,17,24-38,41-43H2,1-10H3,(H,71,80)(H,72,86)/b23-16+,44-18+/t45-,46+,54+,55-,56+,65+,68+,69+/m1/s1
SMILES Code
O=C(CCNC(CCOCCOCCOCCOCCN(C(CCCC(N([C@@H](C)C(O[C@@H](CC(N1C)=O)[C@@]2(C)[C@]([H])([C@H](C)[C@@](C[C@]3(O)[C@H](OC)/C=C/C=C(C)/CC4=CC1=C(Cl)C(OC)=C4)([H])OC(N3)=O)O2)=O)C)=O)=O)C)=O)N5CC6=C(C=CC=C6)C7=C(N(CC)N=N7)C8=C5C=CC=C8
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
