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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H22O4.2Na
Molecular Weight 372.3658
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 7
Charge 0

SHOW SMILES / InChI
Structure of TRANSCROCETINATE SODIUM

SMILES

[Na+].[Na+].CC(\C=C\C=C(/C)C([O-])=O)=C/C=C/C=C(C)/C=C/C=C(\C)C([O-])=O

InChI

InChIKey=RMDMBHQVNHQDDD-VFWKRBOSSA-L
InChI=1S/C20H24O4.2Na/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24;;/h5-14H,1-4H3,(H,21,22)(H,23,24);;/q;2*+1/p-2/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+;;

HIDE SMILES / InChI

Molecular Formula C20H22O4
Molecular Weight 326.3863
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 7
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:43:16 UTC 2023
Edited
by admin
on Sat Dec 16 08:43:16 UTC 2023
Record UNII
YP57637WMX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRANSCROCETINATE SODIUM
USAN   WHO-DD  
USAN  
Official Name English
TRANSCROCETINATE SODIUM [USAN]
Common Name English
TSC
Code English
Disodium (all-E)-2,6,11,15-tetramethylhexadecahepta-2,4,6,8,10,12,14-enedioate
Systematic Name English
Transcrocetinate sodium [WHO-DD]
Common Name English
TRANS SODIUM CROCETINATE
Common Name English
DISODIUM TRANS-CROCETINATE
Common Name English
2,4,6,8,10,12,14-HEXADECAHEPTAENEDIOIC ACID, 2,6,11,15-TETRAMETHYL-, SODIUM SALT (1:2), (2E,4E,6E,8E,10E,12E,14E)-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 378312
Created by admin on Sat Dec 16 08:43:16 UTC 2023 , Edited by admin on Sat Dec 16 08:43:16 UTC 2023
FDA ORPHAN DRUG 345911
Created by admin on Sat Dec 16 08:43:16 UTC 2023 , Edited by admin on Sat Dec 16 08:43:16 UTC 2023
NCI_THESAURUS C68303
Created by admin on Sat Dec 16 08:43:16 UTC 2023 , Edited by admin on Sat Dec 16 08:43:16 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL464792
Created by admin on Sat Dec 16 08:43:16 UTC 2023 , Edited by admin on Sat Dec 16 08:43:16 UTC 2023
PRIMARY
FDA UNII
YP57637WMX
Created by admin on Sat Dec 16 08:43:16 UTC 2023 , Edited by admin on Sat Dec 16 08:43:16 UTC 2023
PRIMARY
NCI_THESAURUS
C82695
Created by admin on Sat Dec 16 08:43:16 UTC 2023 , Edited by admin on Sat Dec 16 08:43:16 UTC 2023
PRIMARY
DRUG BANK
DBSALT002610
Created by admin on Sat Dec 16 08:43:16 UTC 2023 , Edited by admin on Sat Dec 16 08:43:16 UTC 2023
PRIMARY
CAS
591230-99-8
Created by admin on Sat Dec 16 08:43:16 UTC 2023 , Edited by admin on Sat Dec 16 08:43:16 UTC 2023
PRIMARY
PUBCHEM
10287099
Created by admin on Sat Dec 16 08:43:16 UTC 2023 , Edited by admin on Sat Dec 16 08:43:16 UTC 2023
PRIMARY
SMS_ID
300000021773
Created by admin on Sat Dec 16 08:43:16 UTC 2023 , Edited by admin on Sat Dec 16 08:43:16 UTC 2023
PRIMARY
USAN
AB-53
Created by admin on Sat Dec 16 08:43:16 UTC 2023 , Edited by admin on Sat Dec 16 08:43:16 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY