NMI-187

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H35N3O6S
Molecular Weight	541.659
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](OC(=O)CC(C)(C)SN=O)[C@H](C(=O)OC)[C@@]1([H])C[C@]3([H])N(CCC4=C3N(C(C)=O)C5=C4C=CC=C5)C2

InChI

InChIKey=OGAZTKCATDLYHE-KZDFQTSRSA-N

InChI=1S/C28H35N3O6S/c1-16(32)31-21-8-6-5-7-18(21)19-11-12-30-15-17-9-10-23(37-24(33)14-28(2,3)38-29-35)25(27(34)36-4)20(17)13-22(30)26(19)31/h5-8,17,20,22-23,25H,9-15H2,1-4H3/t17-,20-,22-,23-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H35N3O6S
Molecular Weight	541.659
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:11:16 GMT 2023` Edited by `admin` on `Sat Dec 16 18:11:16 GMT 2023`
Record UNII	PL2YY3RRE7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NMI-187

Code

English

NMI187

Code

English

YOHIMBAN-16-CARBOXYLIC ACID, 1-ACETYL-17-(3-METHYL-3-(NITROSOTHIO)-1-OXOBUTOXY)-, METHYL ESTER, (16.ALPHA.,17.ALPHA.)-

Systematic Name

English

METHYL (1S,15R,18S,19R,20S)-3-ACETYL-18-(3-METHYL-3-NITROSOSULFANYLBUTANOYL)OXY-11,12,14,15,16,17,18,19,20,21-DECAHYDRO-1H-YOHIMBAN-19-CARBOXYLATE

Systematic Name

English

Code System Code Type Description

FDA UNII

PL2YY3RRE7

Created by admin on Sat Dec 16 18:11:16 GMT 2023 , Edited by admin on Sat Dec 16 18:11:16 GMT 2023

PRIMARY

PUBCHEM

9807351

Created by admin on Sat Dec 16 18:11:16 GMT 2023 , Edited by admin on Sat Dec 16 18:11:16 GMT 2023

PRIMARY

CAS

242140-32-5

Created by admin on Sat Dec 16 18:11:16 GMT 2023 , Edited by admin on Sat Dec 16 18:11:16 GMT 2023

PRIMARY

Related Record Type Details


					PL2YY3RRE7

NMI-187

ACTIVE MOIETY