U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C62H78N8O20S2
Molecular Weight 1319.454
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PANTENICATE

SMILES

CC(C)(COC(=O)CCC(=O)OCC1=CN=CC=C1)[C@@H](OC(=O)CCC(=O)OCC2=CN=CC=C2)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](OC(=O)CCC(=O)OCC3=CN=CC=C3)C(C)(C)COC(=O)CCC(=O)OCC4=CN=CC=C4

InChI

InChIKey=PCGCUXHCEFYPOT-YQOHNZFASA-N
InChI=1S/C62H78N8O20S2/c1-61(2,41-87-53(77)15-13-49(73)83-37-43-9-5-23-63-33-43)57(89-55(79)19-17-51(75)85-39-45-11-7-25-65-35-45)59(81)69-27-21-47(71)67-29-31-91-92-32-30-68-48(72)22-28-70-60(82)58(90-56(80)20-18-52(76)86-40-46-12-8-26-66-36-46)62(3,4)42-88-54(78)16-14-50(74)84-38-44-10-6-24-64-34-44/h5-12,23-26,33-36,57-58H,13-22,27-32,37-42H2,1-4H3,(H,67,71)(H,68,72)(H,69,81)(H,70,82)/t57-,58-/m0/s1

HIDE SMILES / InChI
Name Type Language
PANTENICATE
INN  
INN  
Official Name English
(R-(R*,R*))-3-PYRIDYLMETHYL HYDROGEN SUCCINATE, TETRAESTER WITH N,N'-(DITHIOBIS(ETHYLENEIMINOCARBONYLETHYLENE))BIS(2,4-DIHYDROXY-3,3-DIMETHYLBUTYRAMIDE)
Common Name English
pantenicate [INN]
Common Name English
5,30-DIOXA-17,18-DITHIA-10,14,21,25-TETRAAZATETRATRIACONTANEDIOIC ACID, 8,27-BIS(1,4-DIOXO-4-(3-PYRIDINYLMETHOXY)BUTOXY)-7,7,28,28-TETRAMETHYL-4,9,13,22,26,31-HEXAOXO-, BIS(3-PYRIDINYLMETHYL) ESTER, (8R,27R)-
Common Name English
MG-28362
Code English
MG 28362
Code English
Code System Code Type Description
NCI_THESAURUS
C174579
Created by admin on Fri Dec 15 18:49:04 GMT 2023 , Edited by admin on Fri Dec 15 18:49:04 GMT 2023
PRIMARY
PUBCHEM
76956918
Created by admin on Fri Dec 15 18:49:04 GMT 2023 , Edited by admin on Fri Dec 15 18:49:04 GMT 2023
PRIMARY
ChEMBL
CHEMBL2103893
Created by admin on Fri Dec 15 18:49:04 GMT 2023 , Edited by admin on Fri Dec 15 18:49:04 GMT 2023
PRIMARY
EVMPD
SUB09607MIG
Created by admin on Fri Dec 15 18:49:04 GMT 2023 , Edited by admin on Fri Dec 15 18:49:04 GMT 2023
PRIMARY
INN
6028
Created by admin on Fri Dec 15 18:49:04 GMT 2023 , Edited by admin on Fri Dec 15 18:49:04 GMT 2023
PRIMARY
SMS_ID
100000082788
Created by admin on Fri Dec 15 18:49:04 GMT 2023 , Edited by admin on Fri Dec 15 18:49:04 GMT 2023
PRIMARY
FDA UNII
9I7K4KJ1E4
Created by admin on Fri Dec 15 18:49:04 GMT 2023 , Edited by admin on Fri Dec 15 18:49:04 GMT 2023
PRIMARY
CAS
96922-80-4
Created by admin on Fri Dec 15 18:49:04 GMT 2023 , Edited by admin on Fri Dec 15 18:49:04 GMT 2023
PRIMARY
MESH
C048080
Created by admin on Fri Dec 15 18:49:04 GMT 2023 , Edited by admin on Fri Dec 15 18:49:04 GMT 2023
PRIMARY