EHF

(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid

Created:	2013-07-03
Last modified:	2021-03-13

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1 entries where EHF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	1
Bond Count	48
Aromatic Bond Count	11

2D diagram of EHF

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Chemical Component Summary
Name	(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid
Synonyms	Camptothecin, open form
Systematic Name (OpenEye OEToolkits)	(2S)-2-[8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxidanyl-butanoic acid
Formula	C₂₀ H₁₈ N₂ O₅
Molecular Weight	366.367
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(O)(C=4C=C3c2nc1ccccc1cc2CN3C(=O)C=4CO)CC
SMILES	CACTVS	3.385	CC[C](O)(C(O)=O)C1=C(CO)C(=O)N2Cc3cc4ccccc4nc3C2=C1
SMILES	OpenEye OEToolkits	1.7.6	CCC(C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O
Canonical SMILES	CACTVS	3.385	CC[C@@](O)(C(O)=O)C1=C(CO)C(=O)N2Cc3cc4ccccc4nc3C2=C1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC[C@](C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O
InChI	InChI	1.03	InChI=1S/C20H18N2O5/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17/h3-8,23,27H,2,9-10H2,1H3,(H,25,26)/t20-/m0/s1
InChIKey	InChI	1.03	SARNOWGPKQIWFT-FQEVSTJZSA-N

Related Resource References

Resource Name	Reference
PubChem	462146
ChEMBL	CHEMBL1205903

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