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

Details

Stereochemistry ABSOLUTE
Molecular Formula C76H104N18O19S2.C2H4O2
Molecular Weight 1697.93
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SOMATOSTATIN ACETATE

SMILES

CC(O)=O.[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](CC6=CC=CC=C6)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O

InChI

InChIKey=GFYNCDIZASLOMM-HMAILDBGSA-N
InChI=1S/C76H104N18O19S2.C2H4O2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77;1-2(3)4/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113);1H3,(H,3,4)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C76H104N18O19S2
Molecular Weight 1637.878
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 2
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 Sat Dec 16 19:35:01 UTC 2023
Edited
by admin
on Sat Dec 16 19:35:01 UTC 2023
Record UNII
F6R2N217HS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SOMATOSTATIN ACETATE
WHO-DD  
Common Name English
ALA-GLY-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS ACETATE
Common Name English
SOMATOSTATIN MONOACETATE
Common Name English
Somatostatin acetate [WHO-DD]
Common Name English
Code System Code Type Description
EVMPD
SUB15339MIG
Created by admin on Sat Dec 16 19:35:01 UTC 2023 , Edited by admin on Sat Dec 16 19:35:01 UTC 2023
PRIMARY
DRUG BANK
DBSALT001156
Created by admin on Sat Dec 16 19:35:01 UTC 2023 , Edited by admin on Sat Dec 16 19:35:01 UTC 2023
PRIMARY
CAS
142570-89-6
Created by admin on Sat Dec 16 19:35:01 UTC 2023 , Edited by admin on Sat Dec 16 19:35:01 UTC 2023
NON-SPECIFIC STOICHIOMETRY
SMS_ID
100000077816
Created by admin on Sat Dec 16 19:35:01 UTC 2023 , Edited by admin on Sat Dec 16 19:35:01 UTC 2023
PRIMARY
RXCUI
236092
Created by admin on Sat Dec 16 19:35:01 UTC 2023 , Edited by admin on Sat Dec 16 19:35:01 UTC 2023
PRIMARY RxNorm
CAS
54472-66-1
Created by admin on Sat Dec 16 19:35:01 UTC 2023 , Edited by admin on Sat Dec 16 19:35:01 UTC 2023
PRIMARY
PUBCHEM
86278199
Created by admin on Sat Dec 16 19:35:01 UTC 2023 , Edited by admin on Sat Dec 16 19:35:01 UTC 2023
PRIMARY
FDA UNII
F6R2N217HS
Created by admin on Sat Dec 16 19:35:01 UTC 2023 , Edited by admin on Sat Dec 16 19:35:01 UTC 2023
PRIMARY
Related Record Type Details
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