(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-7,8,12,13,20,24-hexahydro-8,13-dimethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acid
CAS Registry Number®
82542-92-5
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CAS Name
(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-7,8,12,13,20,24-hexahydro-8,13-dimethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acidMolecular Formula
C42H48N4O16Molecular Mass
864.85Cite this Page
(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-7,8,12,13,20,24-hexahydro-8,13-dimethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=82542-92-5 (retrieved ) (CAS RN: 82542-92-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-44,46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)
InChIKey
InChIKey=CSWLXNNNLVVXKD-UHFFFAOYSA-N
SMILES
C(CC(O)=O)C1C2=CC=3C(CC(O)=O)(C)C(CCC(O)=O)C(N3)=CC4=C(CC(O)=O)C(CCC(O)=O)=C(N4)CC=5NC(C=C(N2)C1(CC(O)=O)C)=C(CC(O)=O)C5CCC(O)=O
Canonical SMILES
O=C(O)CC1=C2C=C3N=C(C=C4NC(=CC=5NC(=C(C5CC(=O)O)CCC(=O)O)CC(N2)=C1CCC(=O)O)C(C)(CC(=O)O)C4CCC(=O)O)C(C)(CC(=O)O)C3CCC(=O)O
Other Names for this Substance
- 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(carboxymethyl)-7,8,12,13,20,24-hexahydro-8,13-dimethyl-, (7S,8S,12S,13S)-
- 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(carboxymethyl)-7,8,12,13,20,24-hexahydro-8,13-dimethyl-, [7S-(7α,8β,12α,13β)]-
- (7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-7,8,12,13,20,24-hexahydro-8,13-dimethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acid
- Precorrin 2
Deleted or Replaced CAS Registry Numbers
114019-23-7
