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Details

Stereochemistry ABSOLUTE
Molecular Formula C66H86N18O12.2C2H4O2
Molecular Weight 1443.6064
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HISTRELIN ACETATE

SMILES

CC(O)=O.CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CN(CC3=CC=CC=C3)C=N2)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=C5C=CC=C6)NC(=O)[C@H](CC7=CNC=N7)NC(=O)[C@@H]8CCC(=O)N8

InChI

InChIKey=BKEMVGVBBDMHKL-VYFXDUNUSA-N
InChI=1S/C66H86N18O12.2C2H4O2/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47;2*1-2(3)4/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71);2*1H3,(H,3,4)/t47-,48-,49-,50-,51-,52-,53+,54-,55-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula C66H86N18O12
Molecular Weight 1323.5024
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 3
Optical Activity UNSPECIFIED

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
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 Fri Dec 15 15:37:48 UTC 2023
Edited
by admin
on Fri Dec 15 15:37:48 UTC 2023
Record UNII
QMG7HLD1ZE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HISTRELIN ACETATE
MART.   MI   ORANGE BOOK   VANDF   WHO-DD  
Common Name English
SUPPRELIN
Brand Name English
VANTAS
Brand Name English
HISTRELIN ACETATE [ORANGE BOOK]
Common Name English
HISTRELIN ACETATE [MART.]
Common Name English
SUPPRELIN LA
Brand Name English
Histrelin acetate [WHO-DD]
Common Name English
HISTRELIN ACETATE [MI]
Common Name English
HISTRELIN ACETATE [VANDF]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 16986
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
NCI_THESAURUS C1910
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
Code System Code Type Description
WIKIPEDIA
Histrelin acetate
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY
ChEMBL
CHEMBL1201255
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY
PUBCHEM
56927879
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY
NCI_THESAURUS
C77424
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY
MERCK INDEX
m6030
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY Merck Index
FDA UNII
QMG7HLD1ZE
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY
CHEBI
63530
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY
DRUG BANK
DBSALT001172
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY
DAILYMED
QMG7HLD1ZE
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID30176580
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY
CAS
220810-26-4
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY
EVMPD
SUB02528MIG
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY
SMS_ID
100000086685
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY
RXCUI
1294622
Created by admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
PRIMARY RxNorm
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY