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mazaticol

PropertiesImage
MNX_IDMNXM106491 Image of MNXM106491
referencechebi:135656
formulaC21H27NO3S2
global charge0
mol weight405.585
InChIKeyAMHPTVWBZSYFSS-UHFFFAOYSA-N
InChIInChI=1S/C21H27NO3S2/c1-20(2)9-8-14-12-15(13-16(20)22(14)3)25-19(23)21(24,17-6-4-10-26-17)18-7-5-11-27-18/h4-7,10-11,14-16,24H,8-9,12-13H2,1-3H3
SMILESCN1C2CCC(C)(C)C1CC(OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1)C2
MNX internals
InChI (mnx)InChI=1/C21H27NO3S2/c1-20(2)9-8-14-12-15(13-16(20)22(14)3)25-19(23)21(24,17-6-4-10-26-17)18-7-5-11-27-18/h4-7,10-11,14-16,24H,8-9,12-13H2,1-3H3/t14?,15?,16? Image of MNXM106491
SMILES (mnx)[CH3:1][C:20]1([CH3:2])[CH2:9][CH2:8][CH:14]2[CH2:12][CH:15]([O:25][C:19]([C:21]([C:17]3=[CH:6][CH:4]=[CH:10][S:26]3)([C:18]3=[CH:7][CH:5]=[CH:11][S:27]3)[OH:24])=[O:23])[CH2:13][CH:16]1[N:22]2[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:135656
chebi:135656
AMHPTVWBZSYFSS-UHFFFAOYSA-N 		mazaticol
mazaticol HCl
mazaticol hydrochloride
mazaticol hydrochloride hydrate
mazaticol hydrochloride monohydrate
pentona

kegg.drug:D08157
keggD:D08157
AMHPTVWBZSYFSS-UHFFFAOYSA-N 		Mazaticol (INN)

keggD:M_D08157 		secondary/obsolete/fantasy identifier