Translations:Pantethine/1/en

Pantethine/1/en

Names
Systematic IUPAC name (2R,2′R)-N,N′-(3,12-Dioxo-7,8-dithia-4,11-diazatetradecane-1,14-diyl)bis(2,4-dihydroxy-3,3-dimethylbutanamide)
Other names Bis-pantethine Co-enzyme pantethine
Identifiers
CAS Number	16816-67-4 Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL2104786 N
ChemSpider	4515 Y
PubChem CID	4677
UNII	7K81IL792L Y
InChI InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34) Y Key: DJWYOLJPSHDSAL-UHFFFAOYSA-N Y InChI=1/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34) Key: DJWYOLJPSHDSAL-UHFFFAOYAZ
SMILES O=C(NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO)CCNC(=O)C(O)C(C)(C)CO
Properties
Chemical formula	C22H42N4O8S2
Molar mass	554.72 g·mol−1
Pharmacology
ATC code	A11HA32 (WHO)
Hazards
NFPA 704 (fire diamond)	2 1 0

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