Home Carboxys Tetrasodium (2S)-2-((((7S,8S)-3-carboxylato-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-2,8,12,17-tetramethyl-7,8-dihydroporphyrin-5-yl)acetyl)amino)butanedioate

Tetrasodium (2S)-2-((((7S,8S)-3-carboxylato-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-2,8,12,17-tetramethyl-7,8-dihydroporphyrin-5-yl)acetyl)amino)butanedioate

CAS No.:
220201-34-3
Catalog Number:
AG00BF4S
Molecular Formula:
C38H37N5Na4O9
Molecular Weight:
799.6876
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$404
- +
10mg
98%
1 week
United States
$682
- +
Product Description
Catalog Number:
AG00BF4S
Chemical Name:
Tetrasodium (2S)-2-((((7S,8S)-3-carboxylato-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-2,8,12,17-tetramethyl-7,8-dihydroporphyrin-5-yl)acetyl)amino)butanedioate
CAS Number:
220201-34-3
Molecular Formula:
C38H37N5Na4O9
Molecular Weight:
799.6876
MDL Number:
MFCD26960899
IUPAC Name:
tetrasodium;(2S)-2-[[2-[(2S,3S)-7-carboxylato-3-(2-carboxylatoethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioate
InChI:
InChI=1S/C38H41N5O9.4Na/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24;;;;/h7,12-14,18,22,30,39-40H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;4*+1/p-4/t18-,22-,30-;;;;/m0..../s1
InChI Key:
JLWROAPZCOJYGT-OBJGRMLXSA-J
SMILES:
CCC1=C(C)C2=N/C/1=C\c1[nH]c(c(c1C)C(=O)[O-])/C(=C/1\N=C(/C=c/3\[nH]/c(=C\2)/c(C=C)c3C)[C@H]([C@@H]1CCC(=O)[O-])C)/CC(=O)N[C@H](C(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
UNII:
L63605PZ70
Properties
Complexity:
1340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
799.218g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
799.699g/mol
Monoisotopic Mass:
799.218g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
247A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
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Time-dependent interactions of the two porphyrinic compounds chlorin e6 and mono-L-aspartyl-chlorin e6 with phospholipid vesicles probed by NMR spectroscopy. Langmuir : the ACS journal of surfaces and colloids 20081104
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Photodynamic therapy of C6-implanted glioma cells in the rat brain employing second-generation photosensitizer talaporfin sodium. Photodiagnosis and photodynamic therapy 20080901
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A Phase II safety and effect on time to tumor progression study of intratumoral light infusion technology using talaporfin sodium in patients with metastatic colorectal cancer. Journal of surgical oncology 20071101
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Properties