OCTREOTIDE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H66N10O10S2
Molecular Weight	1019.239
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OCTREOTIDE

Structure Search

SMILES

[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](CSSC[C@H](NC1=O)C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H](N)CC5=CC=CC=C5)[C@@H](C)O

InChI

InChIKey=DEQANNDTNATYII-OULOTJBUSA-N

InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C49H66N10O10S2
Molecular Weight	1019.239
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:50:22 UTC 2023` Edited by `admin` on `Fri Dec 15 15:50:22 UTC 2023`
Record UNII	RWM8CCW8GP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OCTREOTIDE

Official Name

English

L-CYSTEINAMIDE, D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-(2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-, CYCLIC (2->7)-DISULFIDE, (R-(R*,R*))-

Common Name

English

OCTREOTIDE [USAN]

Common Name

English

OCTREOTIDE [EP MONOGRAPH]

Common Name

English

SMS-995

Code

English

Octreotide [WHO-DD]

Common Name

English

D-PHENYLALANYL-L-HEMICYSTYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-L-HEMICYSTYL-L-THREONINOL CYCLIC (2->7)-DISULFIDE

Common Name

English

octreotide [INN]

Common Name

English

SMS995

Code

English

SMS-201-995

Code

English

OCTREOTIDE [MI]

Common Name

English

OCTREOTIDE [VANDF]

Common Name

English

D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-L-CYSTEINAMIDE CYCLIC (2->7)-DISULFIDE

Common Name

English

SMS 201-995

Code

English

Classification Tree Code System Code

WHO-ATC

H01CB02

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

WHO-VATC

QH01CB02

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

FDA ORPHAN DRUG

836621

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

FDA ORPHAN DRUG

116898

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

FDA ORPHAN DRUG

114698

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

NCI_THESAURUS

C62799

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

FDA ORPHAN DRUG

114598

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

FDA ORPHAN DRUG

309310

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

NDF-RT

N0000175904

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

FDA ORPHAN DRUG

310710

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

LIVERTOX

NBK547947

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

NDF-RT

N0000000194

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID0048682

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

DRUG CENTRAL

1980

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

PUBCHEM

448601

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

FDA UNII

RWM8CCW8GP

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

LACTMED

Octreotide

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

MESH

D015282

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

INN

5656

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

DRUG BANK

DB00104

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

SMS_ID

100000092509

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

MERCK INDEX

m8121

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

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Merck Index

WIKIPEDIA

OCTREOTIDE

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

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ChEMBL

CHEMBL1680

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

NCI_THESAURUS

C711

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

EVMPD

SUB09417MIG

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

DAILYMED

RWM8CCW8GP

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

RXCUI

7617

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

RxNorm

CAS

83150-76-9

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

USAN

X-39

Created by admin on Fri Dec 15 15:50:22 UTC 2023 , Edited by admin on Fri Dec 15 15:50:22 UTC 2023

PRIMARY

Related Record Type Details


					75R0U2568I

OCTREOTIDE ACETATE

SALT/SOLVATE -> PARENT


					6E20216Q0L

PARENT -> DERIVATIVE

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TARGET -> SUBSTRATE

Related Record Type Details


					RWM8CCW8GP

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC				Elimination PHARMACOKINETIC Fatty liver disease PHARMACOKINETIC Cirrhosis PHARMACOKINETIC Renal impeirment PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC