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

Details

Stereochemistry ABSOLUTE
Molecular Formula C42H36N10O10S
Molecular Weight 872.861
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EC-17

SMILES

NC(=O)CC[C@H](N(CCNC(=S)NC1=CC2=C(C=C1)C3(OC2=O)C4=C(OC5=C3C=CC(O)=C5)C=C(O)C=C4)C(=O)C6=CC=C(NCC7=CN=C8N=C(N)NC(=O)C8=N7)C=C6)C(O)=O

InChI

InChIKey=ZMTAPBHUSYTHBY-PMERELPUSA-N
InChI=1S/C42H36N10O10S/c43-33(55)12-11-30(38(58)59)52(37(57)20-1-3-21(4-2-20)46-18-23-19-47-35-34(48-23)36(56)51-40(44)50-35)14-13-45-41(63)49-22-5-8-27-26(15-22)39(60)62-42(27)28-9-6-24(53)16-31(28)61-32-17-25(54)7-10-29(32)42/h1-10,15-17,19,30,46,53-54H,11-14,18H2,(H2,43,55)(H,58,59)(H2,45,49,63)(H3,44,47,50,51,56)/t30-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
EC-17
Common Name English
EC17 (FOLATE-FITC)
Common Name English
L-GLUTAMINE, N2-(4-(((2-AMINO-3,4-DIHYDRO-4-OXO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-N-(2-((((3',6'-DIHYDROXY-3-OXOSPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHEN)-5-YL)AMINO)THIOXOMETHYL)AMINO)ETHYL)-
Common Name English
EC 17 [WHO-DD]
Common Name English
FOLATE-FITC
Common Name English
FOLATE-FLUORESCEIN CONJUGATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1455
Created by admin on Sat Dec 16 03:01:47 UTC 2023 , Edited by admin on Sat Dec 16 03:01:47 UTC 2023
Code System Code Type Description
PUBCHEM
135564966
Created by admin on Sat Dec 16 03:01:47 UTC 2023 , Edited by admin on Sat Dec 16 03:01:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID40207031
Created by admin on Sat Dec 16 03:01:47 UTC 2023 , Edited by admin on Sat Dec 16 03:01:47 UTC 2023
PRIMARY
CAS
583037-91-6
Created by admin on Sat Dec 16 03:01:47 UTC 2023 , Edited by admin on Sat Dec 16 03:01:47 UTC 2023
PRIMARY
FDA UNII
V7YQ6134AE
Created by admin on Sat Dec 16 03:01:47 UTC 2023 , Edited by admin on Sat Dec 16 03:01:47 UTC 2023
PRIMARY
SMS_ID
100000175109
Created by admin on Sat Dec 16 03:01:47 UTC 2023 , Edited by admin on Sat Dec 16 03:01:47 UTC 2023
PRIMARY
DRUG BANK
DB12559
Created by admin on Sat Dec 16 03:01:47 UTC 2023 , Edited by admin on Sat Dec 16 03:01:47 UTC 2023
PRIMARY
NCI_THESAURUS
C62479
Created by admin on Sat Dec 16 03:01:47 UTC 2023 , Edited by admin on Sat Dec 16 03:01:47 UTC 2023
PRIMARY