AG002503

17696-69-4 | Hematoporphyrin (hydrochloride)

AG002503

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CAS Number	17696-69-4
Catalog Number	AG002503(AGN-PC-0QB19W)
Chemical Name	Hematoporphyrin (hydrochloride)
EC Number	241-699-4
IUPAC Name	3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
InChI	InChI=1S/C34H38N4O6.2ClH/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;;/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,42)(H,43,44);2*1H
InChI Key	WZQQOXSHARXAID-UHFFFAOYSA-N
MDL Number	MFCD00013470
Molecular Formula	C34H40Cl2N4O6
Molecular Weight	671.6106
SMILES	O=C(O)CCC1=C2/C=C3C(CCC(O)=O)=C(C)C(/C=C(N/4)/C(C)=C(C(O)C)C4=CC5=N/C(C(C(O)C)=C5C)=CC(N2)=C1C)=N/3.Cl[H].Cl[H]
Synonyms	HEMATOPORPHYRIN DIHYDROCHLORIDE, 17696-69-4, Haematoporphyrin dihydrochloride, Hematoporphyrin IX dihydrochloride, Apiabasilon, Vitamorell, Ematoporfirina [Italian], Hematoporphyrin dichydrochloride, Hematoporphyrin (dihydrochloride), EINECS 241-699-4, MFCD00013470, UNII-O535A6S0T2, 7,12-Bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-2,18-porphinedipropionic acid 2HCl, Acido 1,3,5,8-tetrametil-2,4-bis(idrossietil)porpfina-6,7-dipropionico dicloridrato, 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, dihydrochloride, 21H,23H-Porphine-2,18-propanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, 2HCl, 3,3'-[7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethylporphyrin-2,18-diyl]dipropanoic acid dihydrochloride, Ematoporfirina, Hematoporphyrin HCl, 2,18-Porphinedipropionic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, dihydrochloride, O535A6S0T2, Photodyn, Sensibion, 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, hydrochloride (1:2), AC1L4MK8, SPECTRUM700024, SCHEMBL498346, SCHEMBL498777, C34H40Cl2N4O6, AC1Q3B19, Hematoporphyrin(dihydrochloride), CHEMBL1319648, CTK5C5692, HY-B0754A, 9281AA, CCG-38689, AKOS015911627, CS-5467, KS-00001F93, NCGC00095869-01, NCGC00095869-02, NCGC00095869-03, LS-118321, FT-0626880, H-1450, I14-38030, 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid dihydrochloride, 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride, 670-69-9, HEMATOPORPHYRIN, C34H38N4O6.2ClH, AR-1E8509, AR-1E8510, CID159830, C34-H38-N4-O6.2Cl-H, AK114600, 7779-81-9, 77800-85-2,

Complexity	1020
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	670.232g/mol
Formal Charge	0
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	671.616g/mol
Monoisotopic Mass	670.232g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	172A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number