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

Details

Stereochemistry ABSOLUTE
Molecular Formula C66H100N6O27
Molecular Weight 1409.5242
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MIPSAGARGIN

SMILES

[H][C@@]12OC(=O)[C@@](C)(O)[C@@]1(O)[C@H](C[C@](C)(OC(C)=O)[C@@]3([H])[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)C(\C)=C/C)C(C)=C23)OC(=O)CCCCCCCCCCCNC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=UPYNTAIBQVNPIH-ODMLWHIESA-N
InChI=1S/C66H100N6O27/c1-8-10-11-17-20-24-51(81)96-55-53-52(37(4)54(55)97-62(91)36(3)9-2)56-66(94,65(7,93)63(92)98-56)44(35-64(53,6)99-38(5)73)95-50(80)23-21-18-15-13-12-14-16-19-22-33-68-48(77)34-39(67)57(82)72-43(61(89)90)27-31-47(76)70-41(59(85)86)25-29-45(74)69-40(58(83)84)26-30-46(75)71-42(60(87)88)28-32-49(78)79/h9,39-44,53-56,93-94H,8,10-35,67H2,1-7H3,(H,68,77)(H,69,74)(H,70,76)(H,71,75)(H,72,82)(H,78,79)(H,83,84)(H,85,86)(H,87,88)(H,89,90)/b36-9-/t39-,40-,41-,42-,43-,44-,53+,54-,55-,56-,64-,65+,66+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MIPSAGARGIN
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
Mipsagargin [WHO-DD]
Common Name English
mipsagargin [INN]
Common Name English
MIPSAGARGIN [USAN]
Common Name English
G-202
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 389613
Created by admin on Sat Dec 16 08:16:57 UTC 2023 , Edited by admin on Sat Dec 16 08:16:57 UTC 2023
NCI_THESAURUS C274
Created by admin on Sat Dec 16 08:16:57 UTC 2023 , Edited by admin on Sat Dec 16 08:16:57 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C90554
Created by admin on Sat Dec 16 08:16:57 UTC 2023 , Edited by admin on Sat Dec 16 08:16:57 UTC 2023
PRIMARY
USAN
BC-14
Created by admin on Sat Dec 16 08:16:57 UTC 2023 , Edited by admin on Sat Dec 16 08:16:57 UTC 2023
PRIMARY
SMS_ID
300000034351
Created by admin on Sat Dec 16 08:16:57 UTC 2023 , Edited by admin on Sat Dec 16 08:16:57 UTC 2023
PRIMARY
CAS
1245732-48-2
Created by admin on Sat Dec 16 08:16:57 UTC 2023 , Edited by admin on Sat Dec 16 08:16:57 UTC 2023
PRIMARY
DRUG BANK
DB11813
Created by admin on Sat Dec 16 08:16:57 UTC 2023 , Edited by admin on Sat Dec 16 08:16:57 UTC 2023
PRIMARY
PUBCHEM
24772106
Created by admin on Sat Dec 16 08:16:57 UTC 2023 , Edited by admin on Sat Dec 16 08:16:57 UTC 2023
PRIMARY
ChEMBL
CHEMBL3301617
Created by admin on Sat Dec 16 08:16:57 UTC 2023 , Edited by admin on Sat Dec 16 08:16:57 UTC 2023
PRIMARY
INN
9889
Created by admin on Sat Dec 16 08:16:57 UTC 2023 , Edited by admin on Sat Dec 16 08:16:57 UTC 2023
PRIMARY
FDA UNII
Q032I35QMX
Created by admin on Sat Dec 16 08:16:57 UTC 2023 , Edited by admin on Sat Dec 16 08:16:57 UTC 2023
PRIMARY