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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H32N6O12
Molecular Weight 812.7365
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D-MANNITOL HEXANICOTINATE

SMILES

O=C(OC[C@@H](OC(=O)C1=CN=CC=C1)[C@@H](OC(=O)C2=CN=CC=C2)[C@H](OC(=O)C3=CN=CC=C3)[C@@H](COC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)C6=CN=CC=C6

InChI

InChIKey=IMRLNFKFNFLWQF-MGXDLYCJSA-N
InChI=1S/C42H32N6O12/c49-37(27-7-1-13-43-19-27)55-25-33(57-39(51)29-9-3-15-45-21-29)35(59-41(53)31-11-5-17-47-23-31)36(60-42(54)32-12-6-18-48-24-32)34(58-40(52)30-10-4-16-46-22-30)26-56-38(50)28-8-2-14-44-20-28/h1-24,33-36H,25-26H2/t33-,34-,35-,36-/m1/s1

HIDE SMILES / InChI

Molecular Formula C42H32N6O12
Molecular Weight 812.7365
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:06:42 GMT 2023
Edited
by admin
on Sat Dec 16 18:06:42 GMT 2023
Record UNII
RT4LET4FTS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
D-MANNITOL HEXANICOTINATE
Common Name English
D-MANNITOL, 1,2,3,4,5,6-HEXA-3-PYRIDINECARBOXYLATE
Systematic Name English
MANNITOL, HEXANICOTINATE, D-
Common Name English
D-Mannitol hexanicotinate [WHO-DD]
Common Name English
D-MANNITOL, HEXA-3-PYRIDINECARBOXYLATE
Common Name English
Code System Code Type Description
FDA UNII
RT4LET4FTS
Created by admin on Sat Dec 16 18:06:42 GMT 2023 , Edited by admin on Sat Dec 16 18:06:42 GMT 2023
PRIMARY
PUBCHEM
5746397
Created by admin on Sat Dec 16 18:06:42 GMT 2023 , Edited by admin on Sat Dec 16 18:06:42 GMT 2023
PRIMARY
CAS
15596-27-7
Created by admin on Sat Dec 16 18:06:42 GMT 2023 , Edited by admin on Sat Dec 16 18:06:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID601229752
Created by admin on Sat Dec 16 18:06:42 GMT 2023 , Edited by admin on Sat Dec 16 18:06:42 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY