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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H39N3O6.ClH
Molecular Weight 646.172
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEXNIGULDIPINE HYDROCHLORIDE

SMILES

Cl.COC(=O)C1=C(C)NC(C)=C([C@@H]1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)OCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=MHOSUIMBPQVOEU-MGDILKBHSA-N
InChI=1S/C36H39N3O6.ClH/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29;/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3;1H/t33-;/m1./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 C36H39N3O6
Molecular Weight 609.7114
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 Fri Dec 15 15:30:12 UTC 2023
Edited
by admin
on Fri Dec 15 15:30:12 UTC 2023
Record UNII
0642TZ1JZN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEXNIGULDIPINE HYDROCHLORIDE
Common Name English
BY-935
Code English
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-(4,4-DIPHENYL-1-PIPERIDINYL)PROPYL METHYL ESTER, MONOHYDROCHLORIDE, (4R)-
Systematic Name English
B-8509-35
Common Name English
B-859-35
Code English
(+)-(R)-3-(4,4-DIPHENYLPIPERIDINO)PROPYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(M-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLATE HYDROCHLORIDE
Systematic Name English
B-8509-035
Code English
Code System Code Type Description
FDA UNII
0642TZ1JZN
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
DRUG BANK
DBSALT002716
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
PUBCHEM
6918096
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID80873072
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
CAS
113145-70-3
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
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