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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H33FN2O6.ClH
Molecular Weight 561.041
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELGODIPINE HYDROCHLORIDE, (S)-

SMILES

Cl.CC(C)OC(=O)C1=C(C)NC(C)=C([C@@H]1C2=C3OCOC3=CC=C2)C(=O)OCCN(C)CC4=CC=C(F)C=C4

InChI

InChIKey=JBKDMKOYLBVOOR-SNYZSRNZSA-N
InChI=1S/C29H33FN2O6.ClH/c1-17(2)38-29(34)25-19(4)31-18(3)24(26(25)22-7-6-8-23-27(22)37-16-36-23)28(33)35-14-13-32(5)15-20-9-11-21(30)12-10-20;/h6-12,17,26,31H,13-16H2,1-5H3;1H/t26-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C29H33FN2O6
Molecular Weight 524.5805
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:25:30 GMT 2023
Edited
by admin
on Sat Dec 16 11:25:30 GMT 2023
Record UNII
XBT43RZ648
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ELGODIPINE HYDROCHLORIDE, (S)-
Common Name English
Code System Code Type Description
FDA UNII
XBT43RZ648
Created by admin on Sat Dec 16 11:25:30 GMT 2023 , Edited by admin on Sat Dec 16 11:25:30 GMT 2023
PRIMARY
PUBCHEM
76958114
Created by admin on Sat Dec 16 11:25:30 GMT 2023 , Edited by admin on Sat Dec 16 11:25:30 GMT 2023
PRIMARY
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