Name: Fe-Cap folic
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319448
Cas No:77257-33-1
常用名:Fe-Cap folic
IUPAC:hydrogen (2S)-2-[(4-{[(2-amino-4-oxo-4,8-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid 2,2,6-trioxo-1lambda3,3lambda3,5lambda3-trioxa-2lambda6-thia-8-aza-4-ferraspiro[3.4]octane-4,4-bis(ylium)-1,3,5-triid-8-yl
IUPAC:hydrogen (2S)-2-[(4-{[(2-amino-4-oxo-4,8-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid 2,2,6-trioxo-1lambda3,3lambda3,5lambda3-trioxa-2lambda6-thia-8-aza-4-ferraspiro[3.4]octane-4,4-bis(ylium)-1,3,5-triid-8-yl
InChI key:XOMFPFWJGJKASS-JNQXMBDASA-L

分子式:C21H22FeN8O12S
分子量:666.36
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H+].O=C1C[N][Fe++]2([O-]S(=O)(=O)[O-]2)[O-]1.Nc1nc2[nH]cc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)n1 |^1:4|
SMILES:[H+].O=C1C[N][Fe++]2([O-]S(=O)(=O)[O-]2)[O-]1.Nc1nc2[nH]cc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)n1 |^1:4|

Fe-Cap folic is an encapsulated dosage for use as an iron supplement in pregnancy.

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