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N-[12-[(7-nitro-2-1,3-benzoxadiazol-4-yl)amino]dodecanoyl]-sphingosine-1-phosphocholine - >99%, high purity , CAS No.254117-01-6

N-[12-[(7-nitro-2-1,3-benzoxadiazol-4-yl)amino]dodecanoyl]-sphingosine-1-phosphocholine - >99%, high purity , CAS No.254117-01-6

Item Number

N130258

Grouped product items
SKU	Size	Availability	Price	Qty
N130258-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,437.90
N130258-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,641.90

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Basic Description

Specifications & Purity	≥99%
Shipped In	Normal

IUPAC Name	[(E,2S,3R)-3-hydroxy-2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoylamino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
INCHI	InChI=1S/C41H73N6O9P/c1-5-6-7-8-9-10-11-12-13-15-18-21-24-27-38(48)36(34-55-57(52,53)54-33-32-47(2,3)4)43-39(49)28-25-22-19-16-14-17-20-23-26-31-42-35-29-30-37(46(50)51)41-40(35)44-56-45-41/h24,27,29-30,36,38,48H,5-23,25-26,28,31-34H2,1-4H3,(H2-,42,43,45,49,52,53)/b27-24+/t36-,38+/m0/s1
InChi Key	FCQMKLRMKNYONQ-YPGNEAGUSA-N
Canonical SMILES	CCCCCCCCCCCCCC=CC(C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])O
Isomeric SMILES	CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])O
PubChem CID	71312179
Molecular Weight	825

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