Pudexacianinium chloride | CAS#2243793-22-6

MedKoo Cat#: 330040 | Name: Pudexacianinium chloride

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Pudexacianinium chloride is a diagnostic agent. Pudexacianinium chloride is a dye molecule conjugated with two molecule of cyclodextrin.

Chemical Structure

Pudexacianinium chloride

CAS#2243793-22-6 (chloride)

Theoretical Analysis

MedKoo Cat#: 330040

Name: Pudexacianinium chloride

CAS#: 2243793-22-6 (chloride)

Chemical Formula: C135H197ClN4O73

Exact Mass:

Molecular Weight: 3079.47

Elemental Analysis: C, 52.65; H, 6.45; Cl, 1.15; N, 1.82; O, 37.93

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

2243793-21-5 (cation) 2243793-22-6 (chloride)

Synonym

Pudexacianinium chloride;

IUPAC/Chemical Name

3-(3-{[3-(cyclomaltoheptaos-2I-O-yl)propyl]amino}-3-oxopropyl)-2-{(1E)-2-[(3E)-3-{(2E)-2-[3-(3-{[3-(cyclomaltoheptaos-2I-O-yl)propyl]amino}-3- oxopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene]ethylidene}-2-methoxycyclohex-1-en-1-yl]ethen-1-yl}-1,1-dimethyl-1H-benzo[e]indol-3-ium chloride

InChi Key

GZTBUIDHFZUESL-VJGHJLQJSA-N

InChi Code

InChI=1S/C135H196N4O73.ClH/c1-134(2)71(138(55-23-19-49-13-6-8-17-53(49)75(55)134)31-27-73(154)136-29-11-33-183-118-102(181)132-197-70(48-153)117(118)212-131-100(179)87(166)113(66(44-149)196-131)208-127-96(175)83(162)109(62(40-145)192-127)204-123-92(171)79(158)105(58(36-141)188-123)200-120-89(168)78(157)106(59(37-142)185-120)201-124-93(172)82(161)110(63(41-146)189-124)205-128-97(176)86(165)114(209-132)67(45-150)193-128)25-21-51-15-10-16-52(103(51)182-5)22-26-72-135(3,4)76-54-18-9-7-14-50(54)20-24-56(76)139(72)32-28-74(155)137-30-12-34-184-119-101(180)116-69(47-152)198-133(119)211-115-68(46-151)195-129(99(178)88(115)167)207-111-64(42-147)191-125(95(174)84(111)163)203-107-60(38-143)187-121(91(170)80(107)159)199-104-57(35-140)186-122(90(169)77(104)156)202-108-61(39-144)190-126(94(173)81(108)160)206-112-65(43-148)194-130(210-116)98(177)85(112)164;/h6-9,13-14,17-26,57-70,77-102,104-133,140-153,156-181H,10-12,15-16,27-48H2,1-5H3,(H-,136,137,154,155);1H/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101+,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-;/m1./s1

SMILES Code

COC1=C(/C=C/C2=[N+](c(cc3)c(C2(C)C)c4c3cccc4)CCC(NCCCO[C@@H]5[C@H]([C@@H]6O[C@@H]([C@H]5O[C@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O[C@H]8O[C@@H]([C@H]([C@@H]([C@H]8O)O)O[C@H]9O[C@@H]([C@H]([C@@H]([C@H]9O)O)O[C@H]%10O[C@@H]([C@H]([C@@H]([C@H]%10O)O)O[C@H]%11O[C@@H]([C@H]([C@@H]([C@H]%11O)O)O[C@H]%12O[C@@H]([C@H]([C@@H]([C@H]%12O)O)O6)CO)CO)CO)CO)CO)CO)CO)O)=O)CCC/C1=C\C=C%13N(c(cc%14)c(C\%13(C)C)c%15c%14cccc%15)CCC(NCCCO[C@@H]%16[C@H]([C@@H]%17O[C@H]%18O[C@@H]([C@H]([C@@H]([C@H]%18O)O)O[C@H]%19O[C@@H]([C@H]([C@@H]([C@H]%19O)O)O[C@H]%20O[C@@H]([C@H]([C@@H]([C@H]%20O)O)O[C@H]%21O[C@@H]([C@H]([C@@H]([C@H]%21O)O)O[C@H]%22O[C@@H]([C@H]([C@@H]([C@H]%22O)O)O[C@H]%23O[C@@H]([C@H]([C@@H]([C@H]%23O)O)O[C@H]%16O[C@@H]%17CO)CO)CO)CO)CO)CO)CO)O)=O.[Cl-]

Appearance

Solid powder

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

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 3,079.47 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.