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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C16H19NO3.2ClH.H2O
Molecular Weight 637.591
Optical Activity ( + )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of β-Erythroidine hydrochloride hemihydrate

SMILES

O.Cl.Cl.CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC4=C3CC(=O)OC4.CO[C@@H]5C[C@]67N(CC=C6C=C5)CCC8=C7CC(=O)OC8

InChI

InChIKey=NXXUXBHFMHIYCD-RXORCXBCSA-N
InChI=1S/2C16H19NO3.2ClH.H2O/c2*1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13;;;/h2*2-3,5,13H,4,6-10H2,1H3;2*1H;1H2/t2*13-,16-;;;/m00.../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
β-Erythroidine hydrochloride hemihydrate
MI  
Common Name English
.BETA.-ERYTHROIDINE HYDROCHLORIDE HEMIHYDRATE [MI]
Common Name English
1H,12H-PYRANO(4',3':3,4)PYRIDO(2,1-I)INDOL-12-ONE, 2,6,8,9,10,13-HEXAHYDRO-2-METHOXY-, HYDROCHLORIDE, HYDRATE (2:2:1) (2R,13BS)-
Systematic Name English
.BETA.-ERYTHROIDINE HYDROCHLORIDE HEMIHYDRATE (+)-
Common Name English
Code System Code Type Description
CAS
6045-45-0
Created by admin on Sat Dec 16 07:55:40 UTC 2023 , Edited by admin on Sat Dec 16 07:55:40 UTC 2023
PRIMARY
FDA UNII
9SX70D97WU
Created by admin on Sat Dec 16 07:55:40 UTC 2023 , Edited by admin on Sat Dec 16 07:55:40 UTC 2023
PRIMARY
PUBCHEM
76962898
Created by admin on Sat Dec 16 07:55:40 UTC 2023 , Edited by admin on Sat Dec 16 07:55:40 UTC 2023
PRIMARY
MERCK INDEX
m5008
Created by admin on Sat Dec 16 07:55:40 UTC 2023 , Edited by admin on Sat Dec 16 07:55:40 UTC 2023
PRIMARY Merck Index