Name: Pafolacianine
Rating: 5 (10 reviews)

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HIT ID:HIT214322700
Cas No:1628423-76-6
常用名:Pafolacianine
别名:OTL 38
IUPAC:2-[2-(2-{4-[(2S)-2-[(4-{[(2-amino-4-oxo-4,8-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-2-carboxyethyl]phenoxy}-3-{2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-2,3-dihydro-1H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl)ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indol-1-ium-5-sulfonate
IUPAC:2-[2-(2-{4-[(2S)-2-[(4-{[(2-amino-4-oxo-4,8-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-2-carboxyethyl]phenoxy}-3-{2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-2,3-dihydro-1H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl)ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indol-1-ium-5-sulfonate
InChI key:PDXNSXLPXJFETD-DYVQZXGMSA-N

分子式:C61H67N9O17S4
分子量:1326.49
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS(O)(=O)=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2Oc2ccc(C[C@H](NC(=O)c3ccc(NCc4c[nH]c5nc(N)nc(=O)c5n4)cc3)C(O)=O)cc2)N(CCCCS(O)(=O)=O)c2ccc(cc12)S(O)(=O)=O |w:4.4,6.38,11.10,c:13,37|
SMILES:CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS(O)(=O)=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2Oc2ccc(C[C@H](NC(=O)c3ccc(NCc4c[nH]c5nc(N)nc(=O)c5n4)cc3)C(O)=O)cc2)N(CCCCS(O)(=O)=O)c2ccc(cc12)S(O)(=O)=O |w:4.4,6.38,11.10,c:13,37|

Pafolacianine (OTL 38) is a near-infrared dye-based fluorescent marker utilized for identifying ovarian cancer lesions during surgeries.

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